 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer06_STD_M11_augccpVDZ.in
 Output=30_ibuprofen_conformer06_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-39648.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     39650.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer06_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer06_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.736226000000     -0.365262000000     -1.272205000000
  C                                                 1.580407000000     -0.843892000000     -0.268944000000
  C                                                -0.631287000000     -0.249652000000     -1.070495000000
  C                                                -1.202033000000     -0.613612000000      0.148225000000
  C                                                -0.367697000000     -1.095463000000      1.151784000000
  C                                                 1.000381000000     -1.213316000000      0.943659000000
  C                                                 3.068617000000     -0.934244000000     -0.480851000000
  C                                                 3.864505000000      0.334941000000     -0.092392000000
  C                                                 3.754611000000      0.654693000000      1.397822000000
  C                                                 3.475770000000      1.545740000000     -0.939652000000
  C                                                -2.702771000000     -0.516689000000      0.368988000000
  C                                                -3.138269000000      0.918833000000      0.145133000000
  O                                                -3.559047000000      1.373836000000     -0.886855000000
  O                                                -2.970828000000      1.672405000000      1.255783000000
  H                                                 1.156867000000     -0.080316000000     -2.228675000000
  H                                                -1.260188000000      0.132647000000     -1.864576000000
  H                                                -0.792008000000     -1.385962000000      2.105337000000
  H                                                 1.627267000000     -1.599939000000      1.737720000000
  H                                                 3.268482000000     -1.153685000000     -1.532795000000
  H                                                 3.462957000000     -1.774242000000      0.096737000000
  H                                                 4.913285000000      0.101574000000     -0.306459000000
  H                                                 4.394928000000      1.499871000000      1.657871000000
  H                                                 4.056957000000     -0.196129000000      2.012581000000
  H                                                 2.730553000000      0.917518000000      1.669696000000
  H                                                 2.441497000000      1.841134000000     -0.753494000000
  H                                                 3.577595000000      1.336297000000     -2.006833000000
  H                                                 4.113060000000      2.400281000000     -0.703913000000
  H                                                -2.898442000000     -0.751368000000      1.416045000000
  C                                                -3.487164000000     -1.472476000000     -0.531817000000
  H                                                -3.218631000000      2.580750000000      1.021627000000
  H                                                -4.556603000000     -1.415011000000     -0.324547000000
  H                                                -3.151396000000     -2.495431000000     -0.362197000000
  H                                                -3.334967000000     -1.225513000000     -1.581072000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.736226   -0.365262   -1.272205
      2          6           0        1.580407   -0.843892   -0.268944
      3          6           0       -0.631287   -0.249652   -1.070495
      4          6           0       -1.202033   -0.613612    0.148225
      5          6           0       -0.367697   -1.095463    1.151784
      6          6           0        1.000381   -1.213316    0.943659
      7          6           0        3.068617   -0.934244   -0.480851
      8          6           0        3.864505    0.334941   -0.092392
      9          6           0        3.754611    0.654693    1.397822
     10          6           0        3.475770    1.545740   -0.939652
     11          6           0       -2.702771   -0.516689    0.368988
     12          6           0       -3.138269    0.918833    0.145133
     13          8           0       -3.559047    1.373836   -0.886855
     14          8           0       -2.970828    1.672405    1.255783
     15          1           0        1.156867   -0.080316   -2.228675
     16          1           0       -1.260188    0.132647   -1.864576
     17          1           0       -0.792008   -1.385962    2.105337
     18          1           0        1.627267   -1.599939    1.737720
     19          1           0        3.268482   -1.153685   -1.532795
     20          1           0        3.462957   -1.774242    0.096737
     21          1           0        4.913285    0.101574   -0.306459
     22          1           0        4.394928    1.499871    1.657871
     23          1           0        4.056957   -0.196129    2.012581
     24          1           0        2.730553    0.917518    1.669696
     25          1           0        2.441497    1.841134   -0.753494
     26          1           0        3.577595    1.336297   -2.006833
     27          1           0        4.113060    2.400281   -0.703913
     28          1           0       -2.898442   -0.751368    1.416045
     29          6           0       -3.487164   -1.472476   -0.531817
     30          1           0       -3.218631    2.580750    1.021627
     31          1           0       -4.556603   -1.415011   -0.324547
     32          1           0       -3.151396   -2.495431   -0.362197
     33          1           0       -3.334967   -1.225513   -1.581072
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.395801   0.000000
     3  C    1.387135   2.426354   0.000000
     4  C    2.415812   2.822947   1.394093   0.000000
     5  C    2.761804   2.424225   2.392363   1.391196   0.000000
     6  C    2.387263   1.394027   2.765467   2.417227   1.388828
     7  C    2.527851   1.505934   3.808627   4.328625   3.807853
     8  C    3.415900   2.576416   4.637950   5.160180   4.637409
     9  C    4.156922   3.122664   5.113368   5.266727   4.485198
    10  C    3.356728   3.122914   4.484247   5.265750   5.110998
    11  C    3.813548   4.342768   2.536625   1.519982   2.529885
    12  C    4.320817   5.054163   3.021269   2.469293   3.570267
    13  O    4.649981   5.631529   3.352792   3.252208   4.520863
    14  O    4.927987   5.419436   3.818288   3.095350   3.801079
    15  H    1.083036   2.145456   2.137183   3.390939   3.844779
    16  H    2.141141   3.401272   1.082697   2.147476   3.376866
    17  H    3.845142   3.399912   3.376824   2.143579   1.083371
    18  H    3.373134   2.144878   3.848430   3.391795   2.139556
    19  H    2.664927   2.131405   4.029788   4.806559   4.520194
    20  H    3.360698   2.131494   4.522128   4.807478   4.030853
    21  H    4.312589   3.464591   5.607976   6.173762   5.607864
    22  H    5.044816   4.138523   5.980606   6.170236   5.447429
    23  H    4.673936   3.429031   5.611404   5.595274   4.596448
    24  H    3.778577   2.860721   4.491425   4.486030   3.730882
    25  H    2.836405   2.861054   3.730131   4.484884   4.488347
    26  H    3.392397   3.429613   4.594198   5.593859   5.608533
    27  H    4.401612   4.138621   5.446591   6.169271   5.978379
    28  H    4.537243   4.786213   3.402145   2.122298   2.567665
    29  C    4.428444   5.113169   3.153015   2.534152   3.564790
    30  H    5.438892   6.035272   4.368352   3.877299   4.653956
    31  H    5.478510   6.163778   4.162043   3.481220   4.452931
    32  H    4.525410   5.012608   3.449081   2.757134   3.464250
    33  H    4.172534   5.101786   2.919397   2.813236   4.036100
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.526798   0.000000
     8  C    3.416681   1.547633   0.000000
     9  C    3.358795   2.554353   1.528089   0.000000
    10  C    4.157740   2.554720   1.528070   2.517042   0.000000
    11  C    3.811676   5.848547   6.638317   6.642922   6.643833
    12  C    4.723571   6.507779   7.031088   7.010763   6.731663
    13  O    5.552704   7.029794   7.537878   7.695876   7.037115
    14  O    4.918873   6.803338   7.094234   6.803488   6.811359
    15  H    3.372222   2.727429   3.473823   4.521061   3.111744
    16  H    3.848113   4.668137   5.426236   6.005329   5.028083
    17  H    2.142886   4.668709   5.429055   5.033547   6.006727
    18  H    1.083050   2.728131   3.478262   3.118411   4.525548
    19  H    3.358670   1.093017   2.155461   3.477796   2.771585
    20  H    2.663869   1.093027   2.155380   2.770850   3.478009
    21  H    4.313067   2.122765   1.095548   2.133785   2.133776
    22  H    4.403911   3.501164   2.168371   1.091768   2.755736
    23  H    3.394101   2.781876   2.179446   1.092355   3.476718
    24  H    2.839204   2.858000   2.174902   1.091644   2.785446
    25  H    3.779789   2.858380   2.175000   2.785690   1.091619
    26  H    4.674180   2.782631   2.179476   3.476722   1.092296
    27  H    5.045924   3.501382   2.168264   2.755513   1.091765
    28  H    3.954411   6.263980   7.013765   6.800033   7.173325
    29  C    4.730989   6.578036   7.583330   7.790485   7.599895
    30  H    5.674599   7.358132   7.513688   7.244123   7.052153
    31  H    5.703429   7.641960   8.604144   8.736504   8.582739
    32  H    4.537216   6.414043   7.570117   7.791911   7.783563
    33  H    5.016937   6.503938   7.515556   7.916508   7.380881
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516738   0.000000
    13  O    2.425785   1.203778   0.000000
    14  O    2.377055   1.352572   2.241884   0.000000
    15  H    4.672802   5.008139   5.114185   5.679027   0.000000
    16  H    2.737059   2.860805   2.789488   3.877342   2.453584
    17  H    2.724254   3.828762   4.922012   3.850014   4.928132
    18  H    4.668628   5.620576   6.529134   5.664184   4.273502
    19  H    6.299080   6.939541   7.308950   7.395400   2.468864
    20  H    6.298552   7.129599   7.757989   7.390288   3.687137
    21  H    7.670905   8.105515   8.586962   8.189466   4.223586
    22  H    7.490331   7.705520   8.352080   7.378740   5.299742
    23  H    6.964056   7.516767   8.299099   7.311219   5.139279
    24  H    5.767998   6.063610   6.804649   5.766015   4.320817
    25  H    5.769124   5.726426   6.020189   5.775719   2.741971
    26  H    6.965707   7.064564   7.224086   7.323898   2.813526
    27  H    7.491020   7.449654   7.742628   7.385911   4.149378
    28  H    1.090729   2.112417   3.202536   2.430144   5.493617
    29  C    1.529788   2.509651   2.869270   3.654093   5.136581
    30  H    3.207207   1.880603   2.283600   0.970220   6.065535
    31  H    2.173630   2.771119   3.014793   3.813694   6.168537
    32  H    2.156691   3.451776   3.925898   4.474519   5.279929
    33  H    2.169064   2.759836   2.699771   4.071642   4.680538
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276164   0.000000
    18  H    4.931104   2.456384   0.000000
    19  H    4.719489   5.456880   3.686326   0.000000
    20  H    5.458120   4.721225   2.468393   1.754505   0.000000
    21  H    6.367139   6.370235   4.227497   2.405193   2.405141
    22  H    6.801270   5.952526   4.156338   4.300069   3.745067
    23  H    6.588814   4.993673   2.819508   3.756101   2.552202
    24  H    5.388239   4.231340   2.749447   3.851649   3.202528
    25  H    4.225625   5.389120   4.325517   3.203148   3.851911
    26  H    4.987299   6.588935   5.142659   2.553483   3.756807
    27  H    5.946520   6.803471   5.304950   3.745802   4.300037
    28  H    3.771980   2.305406   4.615798   6.847515   6.576796
    29  C    3.051571   3.771728   5.596825   6.836837   6.985007
    30  H    4.261323   4.774697   6.440006   7.909090   8.029010
    31  H    3.953895   4.480776   6.521303   7.922128   8.038649
    32  H    3.569398   3.589757   5.295959   6.662238   6.669363
    33  H    2.495933   4.481294   5.981500   6.604016   7.023384
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.466277   0.000000
    23  H    2.489954   1.765350   0.000000
    24  H    3.055368   1.763354   1.765539   0.000000
    25  H    3.055429   3.122024   3.796225   2.609304   0.000000
    26  H    2.489956   3.758303   4.328257   3.796014   1.765344
    27  H    2.466249   2.543268   3.758169   3.121527   1.763300
    28  H    8.044726   7.636740   7.002979   5.876658   6.320041
    29  C    8.549618   8.703847   8.063299   7.015607   6.795452
    30  H    8.604544   7.716177   7.850301   6.211210   5.977887
    31  H    9.590575   9.620625   9.007844   7.906980   7.730451
    32  H    8.472699   8.774401   7.930114   7.097474   7.087973
    33  H    8.451003   8.813044   8.283388   7.207677   6.592173
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765329   0.000000
    28  H    7.616659   7.974226   0.000000
    29  C    7.744398   8.531780   2.158879   0.000000
    30  H    7.543800   7.534172   3.370623   4.349016   0.000000
    31  H    8.750141   9.479632   2.493909   1.090854   4.423625
    32  H    7.916204   8.766817   2.503575   1.089930   5.261854
    33  H    7.384284   8.330000   3.065628   1.088619   4.612506
                   31         32         33
    31  H    0.000000
    32  H    1.772944   0.000000
    33  H    1.762714   1.769759   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.94D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.736226   -0.365262   -1.272205
      2          6           0        1.580407   -0.843892   -0.268944
      3          6           0       -0.631287   -0.249652   -1.070495
      4          6           0       -1.202033   -0.613612    0.148225
      5          6           0       -0.367697   -1.095463    1.151784
      6          6           0        1.000381   -1.213316    0.943659
      7          6           0        3.068617   -0.934244   -0.480851
      8          6           0        3.864505    0.334941   -0.092392
      9          6           0        3.754611    0.654693    1.397822
     10          6           0        3.475770    1.545740   -0.939652
     11          6           0       -2.702771   -0.516689    0.368988
     12          6           0       -3.138269    0.918833    0.145133
     13          8           0       -3.559047    1.373836   -0.886855
     14          8           0       -2.970828    1.672405    1.255783
     15          1           0        1.156867   -0.080316   -2.228675
     16          1           0       -1.260188    0.132647   -1.864576
     17          1           0       -0.792008   -1.385962    2.105337
     18          1           0        1.627267   -1.599939    1.737720
     19          1           0        3.268482   -1.153685   -1.532795
     20          1           0        3.462957   -1.774242    0.096737
     21          1           0        4.913285    0.101574   -0.306459
     22          1           0        4.394928    1.499871    1.657871
     23          1           0        4.056957   -0.196129    2.012581
     24          1           0        2.730553    0.917518    1.669696
     25          1           0        2.441497    1.841134   -0.753494
     26          1           0        3.577595    1.336297   -2.006833
     27          1           0        4.113060    2.400281   -0.703913
     28          1           0       -2.898442   -0.751368    1.416045
     29          6           0       -3.487164   -1.472476   -0.531817
     30          1           0       -3.218631    2.580750    1.021627
     31          1           0       -4.556603   -1.415011   -0.324547
     32          1           0       -3.151396   -2.495431   -0.362197
     33          1           0       -3.334967   -1.225513   -1.581072
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1831818           0.2892133           0.2785107
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       984.3576103471 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.13D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.64D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               9.9 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:43 2021, MaxMem=  6442450944 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer06_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:45 2021, MaxMem=  6442450944 cpu:              10.5 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.372936146339    
 DIIS: error= 3.04D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.372936146339     IErMin= 1 ErrMin= 3.04D-03
 ErrMax= 3.04D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-02 BMatP= 1.88D-02
 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.04D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 GapD=    0.390 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.27D-02 MaxDP=5.93D+00              OVMax= 1.87D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.90D-02    CP:  1.80D+00
 E= -656.390985769206     Delta-E=       -0.018049622867 Rises=F Damp=F
 DIIS: error= 6.62D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.390985769206     IErMin= 2 ErrMin= 6.62D-04
 ErrMax= 6.62D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.08D-04 BMatP= 1.88D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.62D-03
 Coeff-Com: -0.186D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.184D-01 0.102D+01
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=1.07D-02 MaxDP=1.25D+00 DE=-1.80D-02 OVMax= 7.76D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.40D-03    CP:  1.97D+00  1.19D+00
 E= -656.391416071603     Delta-E=       -0.000430302397 Rises=F Damp=F
 DIIS: error= 6.56D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.391416071603     IErMin= 3 ErrMin= 6.56D-04
 ErrMax= 6.56D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.92D-04 BMatP= 7.08D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.56D-03
 Coeff-Com: -0.459D-01 0.501D+00 0.545D+00
 Coeff-En:   0.000D+00 0.142D+00 0.858D+00
 Coeff:     -0.456D-01 0.499D+00 0.547D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.05D-03 MaxDP=1.26D-01 DE=-4.30D-04 OVMax= 4.53D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.01D-04    CP:  1.98D+00  1.21D+00  1.11D+00
 E= -656.391806797713     Delta-E=       -0.000390726110 Rises=F Damp=F
 DIIS: error= 9.79D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.391806797713     IErMin= 4 ErrMin= 9.79D-05
 ErrMax= 9.79D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-05 BMatP= 5.92D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.880D-02 0.296D-01 0.126D+00 0.853D+00
 Coeff:     -0.880D-02 0.296D-01 0.126D+00 0.853D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=2.91D-04 MaxDP=3.08D-02 DE=-3.91D-04 OVMax= 1.13D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.12D-04    CP:  1.99D+00  1.21D+00  1.17D+00  1.37D+00
 E= -656.391819918592     Delta-E=       -0.000013120879 Rises=F Damp=F
 DIIS: error= 6.87D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.391819918592     IErMin= 5 ErrMin= 6.87D-05
 ErrMax= 6.87D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.79D-06 BMatP= 1.58D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.131D-02-0.469D-01-0.895D-02 0.429D+00 0.625D+00
 Coeff:      0.131D-02-0.469D-01-0.895D-02 0.429D+00 0.625D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=6.39D-05 MaxDP=3.24D-03 DE=-1.31D-05 OVMax= 6.94D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.93D-05    CP:  1.99D+00  1.21D+00  1.18D+00  1.50D+00  1.26D+00
 E= -656.391824624050     Delta-E=       -0.000004705458 Rises=F Damp=F
 DIIS: error= 1.69D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.391824624050     IErMin= 6 ErrMin= 1.69D-05
 ErrMax= 1.69D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.64D-07 BMatP= 5.79D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.150D-02-0.215D-01-0.194D-01 0.714D-01 0.238D+00 0.730D+00
 Coeff:      0.150D-02-0.215D-01-0.194D-01 0.714D-01 0.238D+00 0.730D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=2.44D-05 MaxDP=1.87D-03 DE=-4.71D-06 OVMax= 1.56D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.00D-06    CP:  1.99D+00  1.21D+00  1.19D+00  1.54D+00  1.35D+00
                    CP:  1.26D+00
 E= -656.391824955131     Delta-E=       -0.000000331081 Rises=F Damp=F
 DIIS: error= 3.77D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.391824955131     IErMin= 7 ErrMin= 3.77D-06
 ErrMax= 3.77D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.50D-08 BMatP= 3.64D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.251D-03-0.344D-03-0.433D-02-0.291D-01-0.107D-02 0.203D+00
 Coeff-Com:  0.832D+00
 Coeff:      0.251D-03-0.344D-03-0.433D-02-0.291D-01-0.107D-02 0.203D+00
 Coeff:      0.832D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.34D-05 MaxDP=1.38D-03 DE=-3.31D-07 OVMax= 6.05D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.80D-06    CP:  1.99D+00  1.21D+00  1.19D+00  1.55D+00  1.36D+00
                    CP:  1.27D+00  1.24D+00
 E= -656.391824991283     Delta-E=       -0.000000036152 Rises=F Damp=F
 DIIS: error= 8.69D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.391824991283     IErMin= 8 ErrMin= 8.69D-07
 ErrMax= 8.69D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-09 BMatP= 2.50D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.736D-04 0.170D-02 0.744D-03-0.125D-01-0.192D-01-0.302D-01
 Coeff-Com:  0.164D+00 0.895D+00
 Coeff:     -0.736D-04 0.170D-02 0.744D-03-0.125D-01-0.192D-01-0.302D-01
 Coeff:      0.164D+00 0.895D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=4.52D-06 MaxDP=5.29D-04 DE=-3.62D-08 OVMax= 1.70D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.82D-06    CP:  1.99D+00  1.21D+00  1.18D+00  1.55D+00  1.37D+00
                    CP:  1.31D+00  1.25D+00  1.07D+00
 E= -656.391824994552     Delta-E=       -0.000000003269 Rises=F Damp=F
 DIIS: error= 3.44D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.391824994552     IErMin= 9 ErrMin= 3.44D-07
 ErrMax= 3.44D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.96D-10 BMatP= 1.91D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.452D-04 0.642D-03 0.636D-03-0.239D-02-0.636D-02-0.282D-01
 Coeff-Com: -0.762D-02 0.318D+00 0.725D+00
 Coeff:     -0.452D-04 0.642D-03 0.636D-03-0.239D-02-0.636D-02-0.282D-01
 Coeff:     -0.762D-02 0.318D+00 0.725D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=5.54D-07 MaxDP=4.98D-05 DE=-3.27D-09 OVMax= 7.19D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.85D-07    CP:  1.99D+00  1.21D+00  1.18D+00  1.55D+00  1.37D+00
                    CP:  1.30D+00  1.27D+00  1.12D+00  1.05D+00
 E= -656.391824994599     Delta-E=       -0.000000000047 Rises=F Damp=F
 DIIS: error= 1.63D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.391824994599     IErMin=10 ErrMin= 1.63D-07
 ErrMax= 1.63D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.76D-11 BMatP= 2.96D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.414D-05-0.336D-04 0.112D-03 0.973D-03 0.109D-02-0.505D-02
 Coeff-Com: -0.249D-01-0.253D-01 0.226D+00 0.827D+00
 Coeff:     -0.414D-05-0.336D-04 0.112D-03 0.973D-03 0.109D-02-0.505D-02
 Coeff:     -0.249D-01-0.253D-01 0.226D+00 0.827D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=5.68D-07 MaxDP=6.37D-05 DE=-4.71D-11 OVMax= 3.13D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.93D-07    CP:  1.99D+00  1.21D+00  1.18D+00  1.55D+00  1.37D+00
                    CP:  1.30D+00  1.27D+00  1.15D+00  1.09D+00  1.06D+00
 E= -656.391824994913     Delta-E=       -0.000000000314 Rises=F Damp=F
 DIIS: error= 5.35D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.391824994913     IErMin=11 ErrMin= 5.35D-08
 ErrMax= 5.35D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.74D-12 BMatP= 3.76D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.442D-05-0.968D-04-0.407D-04 0.626D-03 0.135D-02 0.179D-02
 Coeff-Com: -0.708D-02-0.520D-01-0.208D-01 0.280D+00 0.796D+00
 Coeff:      0.442D-05-0.968D-04-0.407D-04 0.626D-03 0.135D-02 0.179D-02
 Coeff:     -0.708D-02-0.520D-01-0.208D-01 0.280D+00 0.796D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.42D-07 MaxDP=1.58D-05 DE=-3.14D-10 OVMax= 1.30D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.24D-08    CP:  1.99D+00  1.21D+00  1.18D+00  1.55D+00  1.37D+00
                    CP:  1.30D+00  1.27D+00  1.15D+00  1.10D+00  1.16D+00
                    CP:  1.15D+00
 E= -656.391824994913     Delta-E=       -0.000000000000 Rises=F Damp=F
 DIIS: error= 2.97D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -656.391824994913     IErMin=12 ErrMin= 2.97D-08
 ErrMax= 2.97D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.91D-13 BMatP= 5.74D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.126D-05-0.106D-04-0.214D-04-0.501D-04 0.117D-03 0.875D-03
 Coeff-Com:  0.257D-02-0.547D-02-0.335D-01-0.679D-01 0.127D+00 0.977D+00
 Coeff:      0.126D-05-0.106D-04-0.214D-04-0.501D-04 0.117D-03 0.875D-03
 Coeff:      0.257D-02-0.547D-02-0.335D-01-0.679D-01 0.127D+00 0.977D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=4.17D-08 MaxDP=2.58D-06 DE=-2.27D-13 OVMax= 8.73D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.86D-08    CP:  1.99D+00  1.21D+00  1.18D+00  1.55D+00  1.37D+00
                    CP:  1.30D+00  1.27D+00  1.15D+00  1.11D+00  1.18D+00
                    CP:  1.28D+00  1.26D+00
 E= -656.391824994810     Delta-E=        0.000000000103 Rises=F Damp=F
 DIIS: error= 1.49D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -656.391824994913     IErMin=13 ErrMin= 1.49D-08
 ErrMax= 1.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.37D-14 BMatP= 5.91D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.386D-06 0.120D-04 0.145D-05-0.104D-03-0.161D-03-0.592D-04
 Coeff-Com:  0.166D-02 0.614D-02-0.455D-02-0.570D-01-0.916D-01 0.213D+00
 Coeff-Com:  0.932D+00
 Coeff:     -0.386D-06 0.120D-04 0.145D-05-0.104D-03-0.161D-03-0.592D-04
 Coeff:      0.166D-02 0.614D-02-0.455D-02-0.570D-01-0.916D-01 0.213D+00
 Coeff:      0.932D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=2.26D-08 MaxDP=1.75D-06 DE= 1.03D-10 OVMax= 4.68D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.05D-08    CP:  1.99D+00  1.21D+00  1.18D+00  1.55D+00  1.37D+00
                    CP:  1.30D+00  1.27D+00  1.15D+00  1.11D+00  1.18D+00
                    CP:  1.33D+00  1.40D+00  1.34D+00
 E= -656.391824994777     Delta-E=        0.000000000033 Rises=F Damp=F
 DIIS: error= 3.76D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -656.391824994913     IErMin=14 ErrMin= 3.76D-09
 ErrMax= 3.76D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-14 BMatP= 9.37D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.299D-06 0.492D-05 0.365D-05-0.224D-04-0.645D-04-0.140D-03
 Coeff-Com:  0.693D-04 0.251D-02 0.387D-02-0.506D-02-0.431D-01-0.897D-01
 Coeff-Com:  0.269D+00 0.863D+00
 Coeff:     -0.299D-06 0.492D-05 0.365D-05-0.224D-04-0.645D-04-0.140D-03
 Coeff:      0.693D-04 0.251D-02 0.387D-02-0.506D-02-0.431D-01-0.897D-01
 Coeff:      0.269D+00 0.863D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=9.35D-09 MaxDP=1.03D-06 DE= 3.27D-11 OVMax= 2.14D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  3.33D-09    CP:  1.99D+00  1.21D+00  1.18D+00  1.55D+00  1.37D+00
                    CP:  1.30D+00  1.27D+00  1.15D+00  1.11D+00  1.18D+00
                    CP:  1.33D+00  1.44D+00  1.53D+00  1.13D+00
 E= -656.391824994977     Delta-E=       -0.000000000200 Rises=F Damp=F
 DIIS: error= 3.53D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -656.391824994977     IErMin=15 ErrMin= 3.53D-09
 ErrMax= 3.53D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.81D-15 BMatP= 1.85D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.267D-07-0.163D-05 0.481D-06 0.185D-04 0.196D-04-0.143D-04
 Coeff-Com: -0.370D-03-0.807D-03 0.199D-02 0.119D-01 0.104D-01-0.742D-01
 Coeff-Com: -0.143D+00 0.219D+00 0.975D+00
 Coeff:      0.267D-07-0.163D-05 0.481D-06 0.185D-04 0.196D-04-0.143D-04
 Coeff:     -0.370D-03-0.807D-03 0.199D-02 0.119D-01 0.104D-01-0.742D-01
 Coeff:     -0.143D+00 0.219D+00 0.975D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=5.04D-09 MaxDP=3.39D-07 DE=-2.00D-10 OVMax= 1.14D-07

 SCF Done:  E(RM11) =  -656.391824995     A.U. after   15 cycles
            NFock= 15  Conv=0.50D-08     -V/T= 2.0066
 KE= 6.520925661438D+02 PE=-3.495110984005D+03 EE= 1.202268982519D+03
 Leave Link  502 at Wed Sep  8 12:58:35 2021, MaxMem=  6442450944 cpu:           13814.8 elap:            1729.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.11565867D+03

 Leave Link  801 at Wed Sep  8 12:58:35 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10234 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 3.25D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 1.89D-01 5.11D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 3.77D-02 6.75D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 5.41D-03 1.86D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 5.91D-04 5.24D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 5.76D-05 9.83D-04.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 4.35D-06 1.65D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 2.43D-07 4.56D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 9.12D-09 1.07D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 3.55D-10 1.74D-06.
     10 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 1.22D-11 3.89D-07.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 4.55D-13 6.44D-08.
      1 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 2.58D-14 1.42D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   129 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.211718D+03
      2 -0.526202D+00  0.139800D+03
      3  0.181552D+01 -0.787677D+01  0.155471D+03
 Isotropic polarizability for W=    0.088559      169.00 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.163563D+03  0.523472D+02 -0.243195D+02
      2  -0.911944D+02 -0.329992D+02  0.364874D+02
      3  -0.723686D+02 -0.193480D+02 -0.121679D+02
      4  -0.329046D+02  0.758519D+02 -0.154370D+02
      5  -0.280865D+02 -0.222043D+02  0.114246D+03
      6   0.198060D+01  0.200635D+02 -0.310873D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.101259D+02 -0.814751D+01  0.233412D+02
      2   0.256668D+01 -0.747888D+01  0.514385D+02
      3  -0.113147D+03 -0.372208D+02  0.140561D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.676724D+01 -0.164239D+02  0.117393D+02
      2   0.376704D+01 -0.174176D+02  0.186615D+03
      3  -0.852517D+02 -0.167046D+03  0.241849D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.159679D+01 -0.186900D+00  0.132624D+02
      2  -0.186900D+00 -0.238932D+01 -0.110833D+01
      3   0.132624D+02 -0.110833D+01 -0.275618D+01
 OR G Eigenvalues:   -14.0645    -2.3927    12.9086  Iso=     1.1829
 Eigenvectors:
   (1)  -0.644567   0.062021   0.762028
   (2)   0.082977   0.996492  -0.010918
   (3)   0.760032  -0.056193   0.647452
 w=    0.088559 a.u., Optical Rotation Beta=      1.1829 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      290.78 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 3.91D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.43D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 3.58D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 2.06D-02 2.76D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 2.13D-03 8.37D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 5.26D-05 1.33D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 1.40D-06 1.37D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 2.77D-08 1.29D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 4.24D-10 1.51D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 5.80D-12 2.11D-07.
     30 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 7.80D-14 2.23D-08.
     14 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 6.31D-15 8.64D-09.
      5 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 4.39D-15 5.38D-09.
      5 vectors produced by pass 11 Test12= 7.00D-14 2.78D-09 XBig12= 1.30D-14 7.23D-09.
      5 vectors produced by pass 12 Test12= 7.00D-14 2.78D-09 XBig12= 5.63D-14 1.72D-08.
      5 vectors produced by pass 13 Test12= 7.00D-14 2.78D-09 XBig12= 1.31D-14 7.58D-09.
      5 vectors produced by pass 14 Test12= 7.00D-14 2.78D-09 XBig12= 1.66D-14 1.00D-08.
      5 vectors produced by pass 15 Test12= 7.00D-14 2.78D-09 XBig12= 3.28D-14 1.46D-08.
      5 vectors produced by pass 16 Test12= 7.00D-14 2.78D-09 XBig12= 1.40D-14 7.36D-09.
      5 vectors produced by pass 17 Test12= 7.00D-14 2.78D-09 XBig12= 3.81D-14 1.28D-08.
      5 vectors produced by pass 18 Test12= 7.00D-14 2.78D-09 XBig12= 2.43D-14 1.15D-08.
      5 vectors produced by pass 19 Test12= 7.00D-14 2.78D-09 XBig12= 1.91D-14 8.22D-09.
      5 vectors produced by pass 20 Test12= 7.00D-14 2.78D-09 XBig12= 1.76D-14 9.00D-09.
      4 vectors produced by pass 21 Test12= 7.00D-14 2.78D-09 XBig12= 1.58D-14 8.98D-09.
      4 vectors produced by pass 22 Test12= 7.00D-14 2.78D-09 XBig12= 1.08D-14 7.40D-09.
      4 vectors produced by pass 23 Test12= 7.00D-14 2.78D-09 XBig12= 2.50D-14 9.57D-09.
      4 vectors produced by pass 24 Test12= 7.00D-14 2.78D-09 XBig12= 1.99D-14 8.58D-09.
      4 vectors produced by pass 25 Test12= 7.00D-14 2.78D-09 XBig12= 2.17D-14 8.86D-09.
      4 vectors produced by pass 26 Test12= 7.00D-14 2.78D-09 XBig12= 1.31D-14 6.69D-09.
      4 vectors produced by pass 27 Test12= 7.00D-14 2.78D-09 XBig12= 1.07D-14 5.66D-09.
      4 vectors produced by pass 28 Test12= 7.00D-14 2.78D-09 XBig12= 1.79D-14 9.70D-09.
      3 vectors produced by pass 29 Test12= 7.00D-14 2.78D-09 XBig12= 9.94D-15 1.01D-08.
      2 vectors produced by pass 30 Test12= 7.00D-14 2.78D-09 XBig12= 6.82D-15 5.04D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-15
 Solved reduced A of dimension   376 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.94D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.94D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.02D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.211718D+03 -0.526202D+00  0.181552D+01
      2  -0.526202D+00  0.139800D+03 -0.787677D+01
      3   0.181552D+01 -0.787677D+01  0.155471D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.101259D+02 -0.814751D+01  0.233412D+02
      2   0.256668D+01 -0.747888D+01  0.514385D+02
      3  -0.113147D+03 -0.372208D+02  0.140561D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.163563D+03  0.523472D+02 -0.243195D+02
      2  -0.911944D+02 -0.329992D+02  0.364874D+02
      3  -0.723686D+02 -0.193480D+02 -0.121679D+02
      4  -0.329046D+02  0.758519D+02 -0.154370D+02
      5  -0.280865D+02 -0.222043D+02  0.114246D+03
      6   0.198060D+01  0.200635D+02 -0.310873D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.978103D+01  0.266616D+00  0.669627D+00  0.537308D+01  0.207791D+01
      2   0.266616D+00  0.142715D+01 -0.215134D-01  0.207791D+01  0.187120D+01
      3   0.669627D+00 -0.215134D-01  0.121573D+01 -0.423548D+00 -0.265190D+01
                 6             7             8             9            10 
      1  -0.423548D+00 -0.874260D+01  0.306610D+00 -0.443659D+00  0.284138D+02
      2  -0.265190D+01  0.306610D+00 -0.140457D+01 -0.108183D+01  0.170156D+01
      3  -0.212187D+01 -0.443659D+00 -0.108183D+01 -0.178731D+01 -0.130016D+01
                11            12            13            14            15 
      1   0.170156D+01 -0.130016D+01 -0.254184D+00  0.397665D+01  0.123523D+01
      2   0.205482D+01 -0.686644D+00  0.397665D+01 -0.110671D+01 -0.113944D+00
      3  -0.686644D+00  0.292828D+01  0.123523D+01 -0.113944D+00 -0.100766D+01
                16            17            18            19            20 
      1  -0.375903D+01  0.118818D+01  0.124606D+01  0.718884D+01 -0.439532D+00
      2   0.118818D+01  0.157442D-01 -0.944508D+00 -0.439532D+00 -0.123368D+01
      3   0.124606D+01 -0.944508D+00 -0.338265D+00 -0.572400D+00 -0.555444D+00
                21            22            23            24            25 
      1  -0.572400D+00  0.336340D+01 -0.149935D+01 -0.116714D+01 -0.120262D+02
      2  -0.555444D+00 -0.149935D+01  0.252744D+01 -0.204939D+01 -0.514931D-01
      3  -0.297321D+01 -0.116714D+01 -0.204939D+01 -0.104164D+01  0.461402D+00
                26            27            28            29            30 
      1  -0.514931D-01  0.461402D+00 -0.250828D+02 -0.504800D+00  0.109202D+01
      2  -0.863082D+00 -0.820227D+00 -0.504800D+00 -0.166483D+01  0.164399D+00
      3  -0.820227D+00 -0.140671D+01  0.109202D+01  0.164399D+00 -0.269102D+01
                31            32            33            34            35 
      1   0.254634D+01 -0.441921D+01 -0.137227D+01  0.285696D+01 -0.136369D+01
      2  -0.441921D+01  0.842365D+00  0.447198D+00 -0.136369D+01  0.781885D-01
      3  -0.137227D+01  0.447198D+00  0.171337D+00 -0.743143D+00 -0.772493D+00
                36            37            38            39            40 
      1  -0.743143D+00  0.114165D+02 -0.540381D+00 -0.980337D+00 -0.433768D+01
      2  -0.772493D+00 -0.540381D+00 -0.250839D+01  0.130264D+01 -0.156832D+01
      3   0.892751D+00 -0.980337D+00  0.130264D+01 -0.168276D+01 -0.761503D-02
                41            42            43            44            45 
      1  -0.156832D+01 -0.761503D-02  0.981508D+01 -0.156400D+01  0.489541D+00
      2  -0.265526D+01  0.225807D+01 -0.156400D+01  0.137162D+01  0.136480D+01
      3   0.225807D+01  0.206287D+01  0.489541D+00  0.136480D+01  0.152972D+01
                46            47            48            49            50 
      1  -0.849303D+01  0.688469D+00  0.732545D+00 -0.187310D+01  0.134426D+01
      2   0.688469D+00  0.183321D+01 -0.501301D+00  0.134426D+01 -0.361373D+01
      3   0.732545D+00 -0.501301D+00  0.315224D+01  0.185546D+01  0.194774D+01
                51            52            53            54            55 
      1   0.185546D+01  0.121271D+02  0.147448D+01 -0.815007D+00 -0.132964D+02
      2   0.194774D+01  0.147448D+01 -0.320321D-01  0.142105D+01 -0.294768D+01
      3   0.947316D+00 -0.815007D+00  0.142105D+01  0.713360D+00 -0.613005D+00
                56            57            58            59            60 
      1  -0.294768D+01 -0.613005D+00 -0.665517D+01 -0.718449D+01 -0.381843D+00
      2  -0.417076D+01 -0.713196D-01 -0.718449D+01  0.409935D+00 -0.214251D+01
      3  -0.713196D-01 -0.154176D+01 -0.381843D+00 -0.214251D+01  0.167358D+01
                61            62            63            64            65 
      1  -0.166325D+01 -0.489400D+00 -0.322751D+01 -0.474317D+01  0.479799D+01
      2  -0.489400D+00 -0.275407D+01  0.292969D+01  0.479799D+01  0.336971D+01
      3  -0.322751D+01  0.292969D+01  0.503001D+01  0.271077D+01 -0.273446D+00
                66            67            68            69            70 
      1   0.271077D+01  0.128099D+02  0.522435D+01 -0.114919D+00  0.551069D+01
      2  -0.273446D+00  0.522435D+01  0.152009D+01  0.347923D+01  0.597395D+00
      3   0.772140D+00 -0.114919D+00  0.347923D+01 -0.263744D+01  0.411092D-01
                71            72            73            74            75 
      1   0.597395D+00  0.411092D-01  0.293108D+01 -0.362593D+01 -0.278728D+01
      2   0.350513D+01 -0.240366D+01 -0.362593D+01 -0.354775D+01 -0.167546D+00
      3  -0.240366D+01 -0.462779D+01 -0.278728D+01 -0.167546D+00 -0.148023D+01
                76            77            78            79            80 
      1  -0.516074D+01 -0.467718D+01 -0.275507D-01 -0.317897D+01  0.219268D+00
      2  -0.467718D+01 -0.927975D+00 -0.452553D+01  0.219268D+00 -0.330187D+01
      3  -0.275507D-01 -0.452553D+01  0.274065D+01 -0.318348D+00  0.241054D+01
                81            82            83            84            85 
      1  -0.318348D+00  0.343544D+01 -0.414011D+01 -0.153026D+01 -0.555781D+01
      2   0.241054D+01 -0.414011D+01 -0.402305D+01  0.343176D+00 -0.387700D+01
      3   0.272439D+01 -0.153026D+01  0.343176D+00 -0.840034D+00 -0.154721D+00
                86            87            88            89            90 
      1  -0.387700D+01 -0.154721D+00 -0.216185D+01 -0.832571D+00 -0.688880D+00
      2  -0.241335D+01 -0.261888D+01 -0.832571D+00 -0.336383D+01  0.180798D+01
      3  -0.261888D+01  0.290419D+01 -0.688880D+00  0.180798D+01  0.640233D+01
                91            92            93            94            95 
      1   0.385816D+01  0.271183D+01  0.583788D+00  0.446838D+00  0.534382D+01
      2   0.271183D+01  0.198731D+01  0.998830D+00  0.534382D+01 -0.367369D+01
      3   0.583788D+00  0.998830D+00  0.143785D+01  0.173157D+01 -0.325369D-01
                96            97            98            99           100 
      1   0.173157D+01  0.390614D+01  0.160013D+01  0.202239D+01  0.201633D+01
      2  -0.325369D-01  0.160013D+01  0.199058D+01  0.194730D+01 -0.135826D+01
      3   0.149536D+01  0.202239D+01  0.194730D+01 -0.436320D+01  0.144862D+01
               101           102           103           104           105 
      1  -0.135826D+01  0.144862D+01 -0.997411D+00 -0.638520D+00 -0.140287D+01
      2  -0.419649D-01 -0.868789D+00 -0.638520D+00  0.352919D+01  0.253452D+00
      3  -0.868789D+00  0.264859D+00 -0.140287D+01  0.253452D+00 -0.124405D+01
               106           107           108           109           110 
      1   0.199888D+01 -0.209608D+01  0.106980D+01 -0.494058D+01  0.200608D+01
      2  -0.209608D+01  0.122254D+01 -0.228678D+01  0.200608D+01 -0.139924D+01
      3   0.106980D+01 -0.228678D+01  0.295516D+01 -0.337214D+01  0.699700D+00
               111           112           113           114           115 
      1  -0.337214D+01  0.264501D+01 -0.238599D+01  0.128130D+01 -0.669075D+01
      2   0.699700D+00 -0.238599D+01  0.252130D+01 -0.230908D+01  0.261023D+01
      3  -0.177528D+01  0.128130D+01 -0.230908D+01  0.196735D+01 -0.298608D+01
               116           117           118           119           120 
      1   0.261023D+01 -0.298608D+01  0.105135D+01  0.128609D-01  0.127776D+01
      2  -0.393041D+01  0.203692D+01  0.128609D-01  0.202026D+01  0.411108D+00
      3   0.203692D+01 -0.724688D+01  0.127776D+01  0.411108D+00  0.298513D+00
               121           122           123           124           125 
      1  -0.394396D+00  0.193845D+01  0.185384D+00  0.277552D+01 -0.105498D+01
      2   0.193845D+01 -0.532849D+01  0.799759D+00 -0.105498D+01  0.288987D+01
      3   0.185384D+00  0.799759D+00  0.763206D-01 -0.776630D+00  0.250143D+01
               126           127           128           129           130 
      1  -0.776630D+00  0.214724D+01  0.734319D+00 -0.191554D+01  0.435639D+00
      2   0.250143D+01  0.734319D+00  0.371390D+00 -0.354565D+00  0.247254D+00
      3   0.450957D+01 -0.191554D+01 -0.354565D+00  0.191730D+01 -0.621871D+00
               131           132           133           134           135 
      1   0.247254D+00 -0.621871D+00 -0.219592D+01 -0.898054D+00  0.267117D+01
      2   0.476296D+00 -0.654580D+00 -0.898054D+00 -0.116250D+01  0.159255D+01
      3  -0.654580D+00  0.206796D+01  0.267117D+01  0.159255D+01 -0.711916D+01
               136           137           138           139           140 
      1  -0.390032D+01  0.123036D+01 -0.193430D+01  0.174349D+01 -0.626170D+00
      2   0.123036D+01 -0.820421D+00  0.622453D+00 -0.626170D+00  0.664119D+00
      3  -0.193430D+01  0.622453D+00 -0.172537D+01  0.113730D+01 -0.667215D+00
               141           142           143           144           145 
      1   0.113730D+01 -0.230538D+01  0.883429D+00 -0.249028D+01 -0.208576D+01
      2  -0.667215D+00  0.883429D+00 -0.122545D+01  0.149917D+01 -0.647108D+00
      3   0.171787D+01 -0.249028D+01  0.149917D+01 -0.439351D+01  0.209091D+01
               146           147           148           149           150 
      1  -0.647108D+00  0.209091D+01 -0.393150D+00 -0.206476D+00  0.704823D+00
      2  -0.375012D+00  0.632420D+00 -0.206476D+00 -0.641347D+00  0.918376D+00
      3   0.632420D+00 -0.221396D+01  0.704823D+00  0.918376D+00 -0.242120D+01
               151           152           153           154           155 
      1   0.204408D+01  0.104669D+01 -0.269682D+01  0.383160D+01 -0.104497D+01
      2   0.104669D+01  0.161521D+01 -0.244329D+01 -0.104497D+01  0.106023D+01
      3  -0.269682D+01 -0.244329D+01  0.741204D+01  0.251992D+01 -0.101338D+01
               156           157           158           159           160 
      1   0.251992D+01 -0.167999D+01  0.890173D+00 -0.138819D+01  0.253240D+01
      2  -0.101338D+01  0.890173D+00 -0.948239D+00  0.105888D+01 -0.125621D+01
      3   0.213264D+01 -0.138819D+01  0.105888D+01 -0.203336D+01  0.279550D+01
               161           162           163           164           165 
      1  -0.125621D+01  0.279550D+01  0.148437D+01 -0.443060D+00 -0.169827D+01
      2   0.176788D+01 -0.212688D+01 -0.443060D+00  0.912362D+00  0.495929D+00
      3  -0.212688D+01  0.474276D+01 -0.169827D+01  0.495929D+00  0.138928D+01
               166           167           168           169           170 
      1   0.101572D+01  0.152703D+01  0.498837D+00 -0.428025D+01  0.678054D+00
      2   0.152703D+01 -0.119780D+01 -0.127681D+01  0.678054D+00 -0.179759D+01
      3   0.498837D+00 -0.127681D+01 -0.134032D+01  0.296859D+01 -0.257052D+01
               171           172           173           174           175 
      1   0.296859D+01  0.327107D+01 -0.196039D+01  0.108325D+01 -0.264483D+01
      2  -0.257052D+01 -0.196039D+01  0.246000D+01 -0.401433D+00  0.331450D+01
      3  -0.690212D+01  0.108325D+01 -0.401433D+00  0.636434D+00 -0.564273D+00
               176           177           178           179           180 
      1   0.331450D+01 -0.564273D+00  0.413422D+01 -0.878637D+00  0.121335D+01
      2  -0.580085D+01  0.144767D+01 -0.878637D+00  0.269177D+01 -0.164363D+01
      3   0.144767D+01 -0.110309D+01  0.121335D+01 -0.164363D+01  0.873294D+00
               181           182           183           184           185 
      1   0.134698D+02 -0.161095D+01 -0.178899D+01 -0.324666D+01  0.123136D+01
      2  -0.161095D+01  0.111625D+01  0.227544D+00  0.123136D+01 -0.103234D+01
      3  -0.178899D+01  0.227544D+00  0.139818D+01  0.212365D+00 -0.729851D+00
               186           187           188           189           190 
      1   0.212365D+00 -0.239555D+01  0.742940D-01  0.201624D+01  0.442379D+01
      2  -0.729851D+00  0.742940D-01 -0.789359D+00  0.519108D-01  0.322011D+01
      3  -0.126417D+00  0.201624D+01  0.519108D-01 -0.346675D+00  0.231836D+01
               191           192           193           194           195 
      1   0.322011D+01  0.231836D+01  0.397109D+01  0.389921D+01  0.191403D+01
      2   0.296219D+01  0.132235D+01  0.389921D+01  0.511510D+01  0.266538D+01
      3   0.132235D+01  0.194335D+01  0.191403D+01  0.266538D+01  0.207977D+01
               196           197           198           199           200 
      1   0.140772D+01  0.956332D+00  0.163100D+01  0.132993D+01 -0.768904D+00
      2   0.956332D+00  0.142849D+01  0.126907D+01 -0.768904D+00  0.132528D+01
      3   0.163100D+01  0.126907D+01  0.142896D+01  0.166802D+01 -0.680128D+00
               201           202           203           204           205 
      1   0.166802D+01 -0.149115D+01  0.140738D+01 -0.130459D+01  0.161634D+01
      2  -0.680128D+00  0.140738D+01 -0.359581D+01  0.271534D+01 -0.703160D+00
      3   0.156053D+01 -0.130459D+01  0.271534D+01 -0.354279D+01  0.159459D+01
               206           207           208           209           210 
      1  -0.703160D+00  0.159459D+01 -0.677522D+01  0.470098D+00  0.797494D+00
      2   0.213079D+01 -0.219572D+01  0.470098D+00 -0.117128D+01 -0.740946D+00
      3  -0.219572D+01  0.395012D+01  0.797494D+00 -0.740946D+00 -0.195080D+01
               211           212           213           214           215 
      1   0.486665D+00 -0.661162D+00 -0.671083D+00  0.809139D+00 -0.429111D+00
      2  -0.661162D+00  0.902522D+00  0.890857D+00 -0.429111D+00  0.672384D+00
      3  -0.671083D+00  0.890857D+00  0.412269D+00 -0.961795D+00  0.119933D+00
               216           217           218           219           220 
      1  -0.961795D+00 -0.698664D+01  0.683212D+00  0.713180D+00  0.570370D+00
      2   0.119933D+00  0.683212D+00 -0.210513D+01  0.327951D+00 -0.129297D+01
      3   0.110828D+01  0.713180D+00  0.327951D+00 -0.108427D+01  0.193605D+00
               221           222           223           224           225 
      1  -0.129297D+01  0.193605D+00  0.934957D+00 -0.975382D-01 -0.582179D+00
      2   0.142458D+01  0.278854D+00 -0.975382D-01  0.770420D+00  0.155972D+00
      3   0.278854D+00  0.152225D+00 -0.582179D+00  0.155972D+00 -0.368255D+00
               226           227           228           229           230 
      1   0.259179D+00  0.414698D+00 -0.117776D+01  0.339139D-01  0.404100D+00
      2   0.414698D+00  0.587708D+00 -0.107571D+00  0.404100D+00 -0.414824D-01
      3  -0.117776D+01 -0.107571D+00  0.100013D+01  0.260024D-01 -0.723979D+00
               231           232           233           234           235 
      1   0.260024D-01 -0.148325D+01 -0.331059D+00  0.132903D+01  0.387350D+01
      2  -0.723979D+00 -0.331059D+00 -0.130321D+01  0.453713D+00  0.382299D+01
      3  -0.108451D+01  0.132903D+01  0.453713D+00 -0.917683D+01  0.213682D-01
               236           237           238           239           240 
      1   0.382299D+01  0.213682D-01  0.360514D+01  0.443860D+01 -0.131097D+00
      2   0.421572D+01 -0.212069D+00  0.443860D+01  0.751292D+01 -0.152476D-01
      3  -0.212069D+00  0.950317D+00 -0.131097D+00 -0.152476D-01  0.707859D+00
               241           242           243           244           245 
      1   0.103396D+01  0.762546D+00  0.876621D+00  0.295454D+00 -0.872181D+00
      2   0.762546D+00  0.158805D+01  0.781587D+00 -0.872181D+00 -0.484494D+00
      3   0.876621D+00  0.781587D+00 -0.222437D+00  0.143722D+01  0.967572D-01
               246           247           248           249           250 
      1   0.143722D+01 -0.131197D+01 -0.101448D+01  0.200894D+00  0.252262D+01
      2   0.967572D-01 -0.101448D+01 -0.591481D+00  0.113534D+01  0.211508D+00
      3  -0.117564D+01  0.200894D+00  0.113534D+01 -0.127017D+01 -0.195770D+01
               251           252           253           254           255 
      1   0.211508D+00 -0.195770D+01  0.828482D+01 -0.752672D+00 -0.206084D+01
      2   0.141708D+01 -0.107021D+01 -0.752672D+00 -0.351996D+01 -0.825335D+00
      3  -0.107021D+01  0.619738D+01 -0.206084D+01 -0.825335D+00 -0.110591D+01
               256           257           258           259           260 
      1  -0.496565D+01 -0.367024D+01 -0.118630D+01 -0.647674D+01 -0.151003D+01
      2  -0.367024D+01  0.418440D+01 -0.131824D+01 -0.151003D+01 -0.251375D+01
      3  -0.118630D+01 -0.131824D+01 -0.185807D+01 -0.157548D+01 -0.147708D+01
               261           262           263           264           265 
      1  -0.157548D+01 -0.925844D+00  0.133499D+01  0.450771D+00  0.157482D+01
      2  -0.147708D+01  0.133499D+01 -0.181528D+01 -0.430176D+00 -0.257532D+01
      3   0.384083D+01  0.450771D+00 -0.430176D+00 -0.387244D+00 -0.493076D+00
               266           267           268           269           270 
      1  -0.257532D+01 -0.493076D+00 -0.232614D+00  0.484215D+00 -0.204436D+00
      2   0.901962D+01  0.172347D+01  0.484215D+00 -0.129972D+01  0.519463D+00
      3   0.172347D+01  0.157067D+01 -0.204436D+00  0.519463D+00  0.402268D+00
               271           272           273           274           275 
      1  -0.153251D+02 -0.184914D+01  0.386851D+00  0.597901D+00 -0.114983D+01
      2  -0.184914D+01 -0.132773D+01 -0.109811D+00 -0.114983D+01 -0.469000D+00
      3   0.386851D+00 -0.109811D+00 -0.102881D+01  0.958141D-01  0.245721D+00
               276           277           278           279           280 
      1   0.958141D-01  0.240781D+01  0.468192D+00 -0.127096D+01 -0.576206D-01
      2   0.245721D+00  0.468192D+00  0.644301D+00  0.435105D-02 -0.866452D+00
      3   0.284472D+00 -0.127096D+01  0.435105D-02  0.594597D-01  0.352346D+00
               281           282           283           284           285 
      1  -0.866452D+00  0.352346D+00 -0.139955D+01 -0.205427D+00 -0.294047D-01
      2   0.201056D+01  0.207269D+00 -0.205427D+00 -0.872915D+01  0.115303D-01
      3   0.207269D+00  0.396603D+00 -0.294047D-01  0.115303D-01 -0.894294D+00
               286           287           288           289           290 
      1   0.103169D+01  0.290276D+00  0.802560D-01 -0.588723D+00  0.276338D+00
      2   0.290276D+00  0.119774D+01 -0.841326D+00  0.276338D+00  0.494827D+00
      3   0.802560D-01 -0.841326D+00 -0.134838D+00 -0.623546D+00  0.168890D+00
               291           292           293           294           295 
      1  -0.623546D+00  0.114412D+01  0.387124D+00  0.169747D+00 -0.187297D+01
      2   0.168890D+00  0.387124D+00  0.245621D+00 -0.447169D+00 -0.295793D+00
      3   0.261948D+00  0.169747D+00 -0.447169D+00  0.694823D+00 -0.767730D+00
               296           297 
      1  -0.295793D+00 -0.767730D+00
      2  -0.125633D+01 -0.189277D+00
      3  -0.189277D+00 -0.633872D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.244582D+01 -0.219439D+01  0.131776D+01 -0.709742D+01 -0.177096D+01
      2   0.322347D+01 -0.240738D+01  0.943104D+01 -0.195266D+01  0.198914D+01
      3   0.171209D+02 -0.133224D+01  0.273246D+01  0.716499D+01 -0.142530D+01
                 6             7             8             9            10 
      1  -0.249058D+01 -0.760681D+00  0.232399D+01  0.190427D+00 -0.388358D+01
      2  -0.320481D+01 -0.491055D+01 -0.125584D+01  0.196097D+01 -0.426124D+00
      3   0.249870D+01  0.135858D+02  0.615355D+00  0.255988D+01 -0.343651D+02
                11            12            13            14            15 
      1  -0.670417D+00  0.136415D+01  0.262595D+01  0.415274D+01 -0.839096D+01
      2   0.637151D+00 -0.188201D+01  0.417595D+01  0.316176D+00  0.226752D+00
      3  -0.204064D+01  0.125246D+01  0.107391D+02 -0.197688D+01 -0.107393D+01
                16            17            18            19            20 
      1  -0.381466D+01 -0.252842D+01 -0.469289D+01 -0.723311D+00  0.127532D+01
      2  -0.211017D+02 -0.146509D+01 -0.397907D+01 -0.388226D+01 -0.234310D+01
      3   0.967779D+00 -0.118631D+01 -0.791285D+00 -0.947441D+01 -0.173786D+01
                21            22            23            24            25 
      1  -0.131314D+01  0.541423D+01 -0.237246D+01 -0.348061D+01  0.492822D+01
      2   0.369428D+01 -0.370159D+01 -0.187677D+01  0.737399D+00 -0.287401D+01
      3   0.300803D+01  0.804600D+01  0.106321D+01 -0.223694D+01  0.163239D+02
                26            27            28            29            30 
      1   0.200646D+01 -0.160307D+01  0.186904D+01  0.701981D+00 -0.302224D+01
      2   0.993012D+00 -0.119327D+01  0.401687D+00  0.210974D+01 -0.288347D+01
      3  -0.793429D+00 -0.445341D+01  0.265022D+02  0.746355D+00 -0.264160D+01
                31            32            33            34            35 
      1  -0.116337D+01  0.494239D+01 -0.777114D+01 -0.581940D+01 -0.175592D+01
      2   0.398191D+01 -0.426343D+00  0.282529D+01 -0.227742D+02  0.326950D+01
      3   0.821538D+01  0.553178D+01  0.757960D+00 -0.544912D+01 -0.213368D+01
                36            37            38            39            40 
      1  -0.306231D+01 -0.292748D+01 -0.653466D+00 -0.116494D+01 -0.486990D+01
      2  -0.609239D+00 -0.202355D+01 -0.249465D+01  0.838608D+01 -0.275971D+01
      3   0.303524D+01 -0.132638D+02 -0.187113D+00  0.267566D+01  0.148745D+02
                41            42            43            44            45 
      1   0.114331D+01  0.568302D+00 -0.183841D+01  0.420614D+01  0.259702D+01
      2   0.162274D+01 -0.225757D+01 -0.727361D+01 -0.802705D+00  0.151204D+01
      3  -0.703501D+00  0.188094D+01 -0.979308D+01  0.367402D+01  0.863833D+00
                46            47            48            49            50 
      1   0.242706D+01  0.178752D+01  0.278603D+01  0.895002D+01  0.126553D+01
      2  -0.534705D+00 -0.227444D+01  0.324263D+01 -0.342249D+01 -0.181930D+01
      3   0.138239D+02 -0.200566D+01 -0.445425D+00  0.125859D+02  0.201333D+01
                51            52            53            54            55 
      1  -0.256418D+01  0.205808D+01  0.356819D+01  0.146376D+00  0.186569D+01
      2   0.689496D+00 -0.466378D+01  0.584972D+00  0.437093D+00 -0.724232D+01
      3  -0.477643D+01 -0.126102D+02 -0.221464D+01 -0.976499D+00  0.236480D+02
                56            57            58            59            60 
      1   0.187590D+01 -0.184876D+00  0.421457D+01 -0.335136D+01  0.255636D+01
      2  -0.671751D+00 -0.345730D+01 -0.414607D+01 -0.128004D+02  0.761288D+01
      3   0.138651D+02  0.173857D+00  0.405548D+02  0.892088D+01  0.856460D+01
                61            62            63            64            65 
      1  -0.841941D+00  0.855882D+01  0.470926D+01 -0.210058D+01 -0.107160D+00
      2  -0.205405D+02  0.985748D+01  0.170445D+02  0.127773D+02 -0.216846D+00
      3   0.344663D+01  0.110718D+02 -0.546033D+01 -0.294450D+02 -0.175020D+02
                66            67            68            69            70 
      1  -0.806686D+00 -0.322964D+01 -0.250559D+01 -0.271961D+01  0.264485D+01
      2   0.683684D+01  0.412767D+01  0.163467D+02 -0.120273D+02 -0.197576D+01
      3   0.185133D+01 -0.261757D+02 -0.750450D+01 -0.142350D+02 -0.493419D+01
                71            72            73            74            75 
      1   0.528809D+01  0.222505D+01 -0.242104D+01 -0.669139D+01  0.547164D+00
      2  -0.103160D+02 -0.191317D+02 -0.189214D+02  0.566631D+01  0.341571D+01
      3  -0.150969D+02  0.820833D+01  0.183145D+02  0.100605D+02 -0.231278D+01
                76            77            78            79            80 
      1  -0.947106D+01  0.200596D+01 -0.144337D+02  0.764024D+00 -0.707567D+01
      2   0.719272D+01 -0.111079D+02  0.116134D+02  0.360024D+01  0.991164D+01
      3   0.185913D+02  0.105824D+01  0.177930D+02 -0.298688D+01  0.131995D+02
                81            82            83            84            85 
      1   0.289285D+01  0.671575D+01  0.452779D+01  0.145084D+01  0.561432D+01
      2   0.129444D+02 -0.160060D+00 -0.410299D+01 -0.251924D+01 -0.689153D+01
      3  -0.987387D+01  0.256891D+02  0.421238D+01 -0.278003D+01  0.769734D+01
                86            87            88            89            90 
      1   0.927436D+01 -0.465689D+01  0.316934D+01  0.330906D+01 -0.167147D+02
      2  -0.145962D+02  0.113684D+02 -0.627581D+01  0.693668D+01  0.221850D+02
      3   0.106919D+01  0.106972D+02  0.319101D+00  0.122042D+02 -0.716962D+01
                91            92            93            94            95 
      1   0.910660D+00  0.294539D+00  0.193777D+01  0.199180D+01 -0.171985D+01
      2  -0.436530D+01 -0.353698D+01 -0.786014D+00 -0.384596D+01 -0.284519D+01
      3  -0.101753D+01  0.453236D+00  0.278809D+01  0.308534D+02 -0.166890D+02
                96            97            98            99           100 
      1  -0.336564D+01  0.270682D+01  0.496723D+01 -0.147416D+01 -0.731437D+00
      2  -0.676571D+01 -0.159812D+02 -0.664772D+01  0.154847D+02  0.187681D+01
      3  -0.117687D+01  0.135711D+01  0.468685D+01  0.490614D+01  0.118360D+02
               101           102           103           104           105 
      1  -0.548489D+01 -0.479791D+01 -0.603124D+00 -0.594569D-01  0.221086D+01
      2   0.345067D+01  0.505138D+01  0.193278D+01  0.981977D+00  0.111275D+02
      3  -0.147551D+02 -0.496749D+01 -0.781719D+01  0.375011D+01  0.323851D+01
               106           107           108           109           110 
      1  -0.657862D+01  0.139221D+01 -0.402667D+01  0.452232D+01  0.269610D+01
      2  -0.373526D+01  0.922708D+01 -0.166973D+02  0.952073D+01 -0.287919D+01
      3  -0.800615D+01  0.105205D+02 -0.557910D+01 -0.726917D+00 -0.398260D+01
               111           112           113           114           115 
      1   0.388189D+01 -0.579858D+00  0.100349D+01 -0.673008D+01  0.414356D+01
      2   0.845748D+01 -0.971849D+00  0.776287D+01 -0.997166D+01  0.396641D+01
      3   0.569438D+00 -0.345865D+01  0.110116D+02 -0.785125D+01  0.962747D+01
               116           117           118           119           120 
      1   0.432628D+01  0.116001D+02 -0.372134D+01  0.299111D+01  0.102480D+00
      2  -0.637156D+01  0.286916D+02 -0.567095D+01 -0.769226D+00  0.548811D-01
      3  -0.168435D+02  0.537305D+01 -0.557791D+00  0.634802D+01  0.424134D+01
               121           122           123           124           125 
      1   0.127874D+01 -0.594478D+01 -0.304883D+01 -0.234643D+01  0.711450D+01
      2  -0.192728D+01 -0.459284D+01 -0.150948D+01 -0.222654D+01 -0.708123D+01
      3   0.705121D+01 -0.124031D+02  0.303153D+01 -0.199630D+01  0.861372D+01
               126           127           128           129           130 
      1  -0.684477D+01 -0.265965D+01 -0.227288D+01  0.119406D+01 -0.747456D+00
      2  -0.144509D+02  0.508118D+01  0.151841D+01 -0.146729D+01  0.718135D+00
      3   0.793044D+01 -0.619976D+00 -0.870990D+00  0.838784D+00  0.101385D+01
               131           132           133           134           135 
      1  -0.155303D+01 -0.980136D-01  0.329159D+01  0.551709D+01 -0.543198D+01
      2   0.248709D+00  0.350854D+00 -0.502331D+01 -0.599395D+00 -0.187401D+01
      3  -0.334574D+00  0.254929D+00  0.105757D+01  0.223588D+01 -0.173489D+01
               136           137           138           139           140 
      1  -0.292418D+01  0.320120D+01 -0.841364D+00  0.116336D+01 -0.142724D+01
      2  -0.872585D+01  0.223605D+01 -0.139671D+01  0.261337D+01 -0.853907D+00
      3   0.767575D+00 -0.162899D+01  0.818763D+00  0.923550D+00  0.114522D+01
               141           142           143           144           145 
      1  -0.599720D+00 -0.182720D+01  0.405042D+01 -0.293953D+01  0.197364D+01
      2   0.942814D-01 -0.406553D+01  0.350500D+00  0.324872D+00  0.427549D+01
      3  -0.358674D+00  0.807813D+00 -0.258573D+01  0.180279D+01  0.306434D+01
               146           147           148           149           150 
      1  -0.898482D+00 -0.251135D+01  0.104279D+01  0.254476D+00 -0.388193D+01
      2   0.495781D+00 -0.117326D+01  0.233520D+00 -0.191080D-01  0.610472D+00
      3   0.558682D-01 -0.233161D+01  0.181189D+01 -0.231713D+00 -0.762754D+00
               151           152           153           154           155 
      1  -0.181452D+01  0.216894D+01  0.601383D+01  0.331668D+01  0.151362D+01
      2  -0.463122D+01 -0.440677D+00 -0.700276D+00 -0.539255D+01  0.144827D-01
      3  -0.252534D+01  0.611795D+00  0.237441D+01 -0.637578D+01 -0.106489D+01
               156           157           158           159           160 
      1   0.283548D+01 -0.150079D+01  0.467496D+00 -0.374513D+01  0.291666D+01
      2  -0.582610D+00  0.937080D+00  0.186188D-02 -0.136083D+01 -0.262969D+01
      3  -0.285161D+01  0.366518D+01  0.432943D+00  0.902540D+00 -0.307519D+01
               161           162           163           164           165 
      1   0.119155D+01  0.471314D+01 -0.132426D+01 -0.470770D+00  0.133538D+01
      2  -0.445426D+00  0.191564D+01 -0.611052D+01  0.814814D+00  0.525688D+01
      3  -0.146423D+01 -0.185586D+01 -0.104993D+01 -0.393825D+01  0.680918D+00
               166           167           168           169           170 
      1  -0.213457D+00 -0.783904D-01 -0.208576D+01  0.287948D+01  0.853822D+00
      2   0.178572D+01 -0.330233D+01 -0.455969D+01  0.495689D+01 -0.901972D+01
      3  -0.490757D+01  0.224572D+01  0.309101D+01  0.326365D+01  0.545643D+01
               171           172           173           174           175 
      1  -0.758657D+01  0.194592D+01 -0.154380D+01  0.170805D+01 -0.268961D+01
      2  -0.232640D+02  0.664148D+01 -0.260453D+01  0.461007D+01 -0.305371D+01
      3   0.426396D+01  0.272451D+01 -0.729437D+01  0.141894D+00 -0.551518D+01
               176           177           178           179           180 
      1   0.445245D+01 -0.481064D+01  0.176282D+01 -0.245716D+01  0.289548D+01
      2   0.773160D+01 -0.538752D+01  0.414098D+01 -0.683797D+01  0.400084D+01
      3   0.160328D+02 -0.397942D+01 -0.273403D+01 -0.877044D+01  0.401285D+01
               181           182           183           184           185 
      1   0.331425D+00 -0.585885D+00 -0.185599D+00  0.712609D-01  0.530237D+00
      2  -0.405129D+01  0.596706D+00  0.909632D+01 -0.113615D+00 -0.327543D+01
      3   0.646277D+01 -0.838380D+01 -0.958255D+00 -0.235762D+01  0.475421D+01
               186           187           188           189           190 
      1  -0.103901D+01 -0.517907D+00  0.110314D+01 -0.163298D+00  0.362089D+01
      2  -0.248577D+00  0.636818D+01  0.364774D+00 -0.895458D+00  0.243249D+01
      3   0.347155D+01  0.154813D+00  0.419131D+01 -0.479579D+00 -0.955371D+01
               191           192           193           194           195 
      1   0.519239D+01 -0.485575D+00  0.570608D+01  0.749674D+01  0.448404D+00
      2   0.202236D+00  0.624527D+01 -0.192393D-01  0.494339D+01  0.692483D+01
      3  -0.116664D+02 -0.375042D+01 -0.108755D+02 -0.193256D+02 -0.961951D+01
               196           197           198           199           200 
      1   0.105161D+01  0.306514D+01  0.610083D+00 -0.258218D+01  0.324373D+01
      2   0.260544D+01  0.310921D+01  0.363544D+01  0.568059D+01 -0.132275D+01
      3  -0.200661D+01 -0.562812D+01 -0.407801D+01  0.301920D+01 -0.621323D+01
               201           202           203           204           205 
      1  -0.184795D+01  0.295374D+01 -0.102854D+02  0.540999D+01 -0.222187D+01
      2   0.470204D+01 -0.118625D+01  0.936217D+01 -0.134191D+02  0.140354D+01
      3   0.329638D+01 -0.361989D+01  0.157249D+02 -0.107789D+02  0.259918D+01
               206           207           208           209           210 
      1   0.794559D+01 -0.577696D+01 -0.152141D+01 -0.236009D+01  0.135671D+01
      2  -0.810503D+01  0.137598D+02  0.210297D+02 -0.342395D+01 -0.801901D+01
      3  -0.903519D+01  0.905675D+01 -0.986083D+01  0.316329D+01  0.374496D+01
               211           212           213           214           215 
      1  -0.143663D+01  0.273557D+00  0.617904D-01  0.835821D+00  0.209880D+01
      2  -0.278888D+01  0.537084D+01  0.237060D+01 -0.870126D+01  0.124260D+01
      3   0.462955D+01 -0.321812D+01 -0.375693D+01  0.245959D+01 -0.231436D+01
               216           217           218           219           220 
      1  -0.560011D+00 -0.111994D+01  0.175816D+01  0.264256D+01  0.152055D+01
      2   0.565728D+01 -0.786232D+01  0.193716D+01 -0.100827D+01  0.157712D+01
      3  -0.154155D+01 -0.221215D+02  0.697717D+01  0.433819D+00  0.742497D+01
               221           222           223           224           225 
      1  -0.161780D+01 -0.127881D+01  0.205946D+01  0.395343D+00  0.157692D+00
      2  -0.948367D+00 -0.306095D+00 -0.328493D+01 -0.136964D+00 -0.197853D+01
      3  -0.703946D+01 -0.946500D+00  0.180609D+01 -0.290213D+01 -0.187855D+01
               226           227           228           229           230 
      1   0.159681D+01 -0.607046D+00 -0.138343D+01 -0.277141D+00  0.180285D+01
      2  -0.494088D+01 -0.276500D+00  0.290176D+01 -0.590042D+00 -0.224387D+01
      3  -0.241983D+01 -0.239582D+01 -0.110455D+01 -0.410042D+00  0.116719D+01
               231           232           233           234           235 
      1   0.198197D+01 -0.146267D+01  0.475104D+01  0.167005D+02 -0.463103D+01
      2  -0.437581D+01 -0.668651D+00  0.873853D+00 -0.324017D+02  0.403630D+01
      3   0.223013D+01 -0.119021D+01  0.457829D+01 -0.160138D+01 -0.735006D+01
               236           237           238           239           240 
      1  -0.471507D+01 -0.315998D+01 -0.565387D+01 -0.883441D+01 -0.404551D+01
      2   0.295219D+01  0.544035D+01  0.367740D+01  0.443256D+01  0.367549D+01
      3  -0.111718D+02  0.126449D+01 -0.690946D+01 -0.218500D+02  0.666405D-02
               241           242           243           244           245 
      1  -0.243453D+01 -0.206744D+01 -0.723211D+00  0.336532D+00 -0.396336D+00
      2   0.366181D+01  0.329060D+01  0.322386D-01 -0.558681D+01 -0.519149D-03
      3  -0.718959D+00 -0.530021D+01 -0.162352D+01 -0.267509D+01 -0.178092D+01
               246           247           248           249           250 
      1  -0.837359D+00 -0.847298D-01  0.893157D-01 -0.831291D+00 -0.128346D+01
      2   0.374340D+01  0.257809D+00 -0.279006D+01  0.435661D+01  0.132222D+01
      3  -0.555774D+00 -0.764755D+00 -0.110487D+01  0.295420D+01 -0.115900D+01
               251           252           253           254           255 
      1   0.272536D+01  0.323351D+01 -0.245724D+01  0.106049D+01 -0.236280D+01
      2   0.358387D+01 -0.191801D+02  0.161348D+02  0.382753D+01  0.652832D+01
      3   0.368290D+01 -0.203994D+01 -0.171837D+02 -0.151032D+02  0.119118D+00
               256           257           258           259           260 
      1  -0.143980D+01 -0.649574D+01 -0.391904D+01 -0.628852D+00  0.133490D+01
      2   0.455240D+01  0.490367D+01  0.637840D+01  0.392565D+01  0.536681D+01
      3  -0.551451D+01  0.225173D+02 -0.361595D+01  0.166121D+01 -0.647600D+01
               261           262           263           264           265 
      1   0.917055D+01  0.863819D+00 -0.154427D+01  0.471130D+00 -0.260839D+01
      2  -0.189778D+02 -0.590151D+00  0.135609D+00  0.915080D+00 -0.172335D+00
      3  -0.484537D+01  0.276732D+01 -0.388202D+01 -0.166956D+01 -0.347649D+01
               266           267           268           269           270 
      1   0.925363D+01 -0.163351D+01  0.500688D+00 -0.129532D+01  0.961210D+00
      2  -0.313539D+01 -0.465109D+01  0.281041D+00 -0.163050D+01 -0.728744D+00
      3   0.262430D+02  0.502934D+01  0.115952D+01 -0.433565D+01  0.152133D+01
               271           272           273           274           275 
      1   0.123948D+01  0.539757D+00 -0.212462D+01  0.865608D+00  0.655654D+00
      2  -0.867750D+01 -0.230823D+00  0.791135D+01 -0.704879D+00 -0.155621D+01
      3   0.159230D+02 -0.587154D+01 -0.119959D+01 -0.407860D+01 -0.102632D+00
               276           277           278           279           280 
      1  -0.158057D+00 -0.218480D+01  0.692313D+00 -0.102194D+00  0.150033D+01
      2  -0.800880D+00  0.468353D+01 -0.268232D+00 -0.369380D+00 -0.127871D+01
      3   0.988726D+00 -0.161180D+01  0.198433D+01  0.207577D+01 -0.514970D+01
               281           282           283           284           285 
      1  -0.848754D+00  0.157856D+01 -0.365276D+00  0.537479D+01 -0.412124D+01
      2  -0.988209D+00 -0.120651D+01 -0.806574D+00 -0.902593D-01  0.305989D+01
      3   0.803514D+01 -0.272410D+00  0.489578D+01 -0.316961D+02  0.591169D+00
               286           287           288           289           290 
      1   0.656701D+00 -0.125667D+01  0.395927D+00 -0.175321D+01 -0.614501D+00
      2  -0.156721D+01  0.288378D+01  0.628010D+00  0.422657D+01  0.175865D-01
      3  -0.131681D+01  0.394939D+01 -0.314858D+01  0.180497D+01  0.999036D+00
               291           292           293           294           295 
      1   0.519796D+00 -0.276844D+00 -0.249106D+01  0.923829D+00 -0.251396D+00
      2  -0.180104D+01  0.129105D+01  0.226546D+01 -0.317651D+01 -0.187734D+01
      3   0.114636D+01  0.100868D+01  0.664298D+00 -0.190620D+01  0.151668D+01
               296           297 
      1   0.337545D+01 -0.114477D+02
      2  -0.162900D+00  0.253097D+02
      3  -0.419576D+01  0.114658D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.152802D+01 -0.754639D+01  0.202714D+02  0.131821D+02 -0.918401D+00
      2   0.712432D+01  0.313292D+01 -0.796389D+01 -0.353139D+01  0.285467D+01
      3  -0.865234D+01  0.441347D+01 -0.123075D+02 -0.965074D+01 -0.193627D+01
      4  -0.246793D+00  0.268710D+01 -0.107281D+01  0.900695D+01  0.546133D+01
      5   0.214588D+02 -0.252638D+00 -0.806238D+01 -0.949692D+01 -0.324059D+01
      6  -0.101474D+01 -0.354577D+01  0.148934D+01 -0.131356D+01  0.376671D+01
                 6             7             8             9            10 
      1  -0.182735D+02 -0.212374D+02 -0.970991D+01  0.452966D+01  0.473496D+02
      2   0.237439D+01  0.355499D+01  0.217642D+01  0.432943D+01 -0.232969D+02
      3   0.158991D+02  0.176824D+02  0.753349D+01 -0.885909D+01 -0.240527D+02
      4  -0.400206D+01  0.457748D+01 -0.247561D+01 -0.472043D+01 -0.106932D+02
      5  -0.231369D+01  0.972020D+01 -0.417439D+01  0.599898D+01 -0.101265D+02
      6   0.121402D+02 -0.650078D+01  0.641095D+01  0.147605D+02  0.315044D+01
                11            12            13            14            15 
      1   0.840525D+01 -0.187849D+01  0.144561D+02 -0.259368D+01  0.557526D+01
      2  -0.828743D+01  0.369782D+01 -0.133520D+02  0.691618D+01 -0.123550D+01
      3  -0.117821D+00 -0.181933D+01 -0.110410D+01 -0.432250D+01 -0.433976D+01
      4   0.256755D+01 -0.342200D+01  0.160132D+02 -0.692816D+01 -0.458522D+00
      5  -0.412908D+01  0.916878D+01  0.125647D+02  0.917009D-01 -0.350063D+01
      6   0.521830D+00 -0.704113D+01 -0.453972D+01  0.420001D+01  0.953982D+01
                16            17            18            19            20 
      1  -0.891117D+01  0.535200D+01 -0.198158D+02 -0.239233D+01  0.418618D+01
      2  -0.160741D+01  0.519655D+01  0.305190D+01 -0.227155D+01 -0.152029D+01
      3   0.105186D+02 -0.105485D+02  0.167639D+02  0.466388D+01 -0.266589D+01
      4   0.136617D+02  0.176377D+00 -0.436220D+01  0.364217D+01 -0.437163D+00
      5  -0.143829D+02 -0.371975D+01 -0.370998D+01 -0.186128D+02  0.308755D+01
      6  -0.579317D+01  0.176491D+01 -0.431196D+01  0.420094D+01  0.539920D+01
                21            22            23            24            25 
      1  -0.242246D+02 -0.905624D+01 -0.560070D+01 -0.498581D+01  0.220924D+02
      2   0.695260D+01 -0.176024D+01  0.642688D+01 -0.483057D+00  0.343071D+00
      3   0.172720D+02  0.108165D+02 -0.826185D+00  0.546887D+01 -0.224354D+02
      4   0.313992D+01  0.331058D+01 -0.598897D+00  0.311736D+01  0.464567D+01
      5  -0.771613D+00  0.184530D+01  0.943165D+00  0.678064D+01  0.134252D+02
      6   0.550064D+01  0.316409D+01  0.228068D+01  0.759905D+01  0.102126D+02
                26            27            28            29            30 
      1  -0.833987D+01  0.708687D+01  0.132102D+02 -0.753720D+00  0.130365D+01
      2   0.102989D+01 -0.263133D+01 -0.153731D+01  0.549712D+01  0.703413D+00
      3   0.730998D+01 -0.445554D+01 -0.116729D+02 -0.474340D+01 -0.200707D+01
      4   0.359603D+01  0.671201D+01  0.250039D+02  0.196313D+01 -0.173563D+01
      5   0.538369D+01 -0.587011D+01  0.412633D+01 -0.122901D+01  0.668331D+01
      6   0.225200D+01  0.107713D+02  0.275098D+01 -0.123631D+01  0.428718D+01
                31            32            33            34            35 
      1   0.160513D+00 -0.232582D+01  0.686851D+01 -0.758726D+01  0.917119D+01
      2   0.571657D+01  0.492113D+01 -0.189219D+01  0.110754D+01  0.363561D+01
      3  -0.587708D+01 -0.259531D+01 -0.497632D+01  0.647972D+01 -0.128068D+02
      4   0.128096D+02 -0.328045D-02  0.164185D+01  0.105926D+02  0.479763D+01
      5   0.110116D+02  0.896135D+00  0.104676D+01 -0.175041D+02  0.182659D+01
      6  -0.888359D+00  0.382642D+01  0.576427D+01 -0.143830D+01  0.942241D+00
                36            37            38            39            40 
      1  -0.182384D+02  0.756846D+01 -0.139851D+02  0.205166D+02  0.425847D+01
      2   0.312258D+01  0.108042D+01  0.134390D+02 -0.120736D+02  0.454508D+01
      3   0.151159D+02 -0.864888D+01  0.546144D+00 -0.844299D+01 -0.880355D+01
      4   0.770483D+00 -0.105743D+02 -0.784179D+00  0.336056D+01  0.151012D+02
      5  -0.126130D+01  0.118728D+02  0.214395D+01 -0.107457D+02 -0.277298D+01
      6  -0.822317D+01 -0.532848D+00 -0.549892D+01  0.606364D+01 -0.254210D+00
                41            42            43            44            45 
      1  -0.977827D+01 -0.727720D+01 -0.167677D+02 -0.477715D+01  0.836070D+01
      2   0.168709D+02 -0.100926D+02  0.806271D+00 -0.403302D+01 -0.897979D+00
      3  -0.709258D+01  0.173698D+02  0.159615D+02  0.881017D+01 -0.746272D+01
      4   0.622839D+01 -0.236459D+01 -0.423038D+01 -0.217129D+01 -0.625539D+01
      5  -0.117788D+01 -0.140857D+01  0.635949D+01 -0.521086D+01  0.881272D+01
      6  -0.625882D+01  0.461957D+01 -0.940870D+01  0.117890D+01  0.942358D+01
                46            47            48            49            50 
      1  -0.625575D+01  0.112229D+02 -0.227604D+02 -0.242309D+01 -0.140868D+02
      2   0.115578D+01 -0.902328D+01  0.697192D+01 -0.672213D+01  0.236109D+02
      3   0.509997D+01 -0.219960D+01  0.157885D+02  0.914522D+01 -0.952415D+01
      4   0.122873D+02 -0.539077D+00  0.522740D+01  0.853580D+01 -0.644102D+01
      5  -0.116881D+02  0.554444D+01 -0.105714D+01  0.927134D+01  0.206781D+01
      6   0.437190D+01  0.426948D+01 -0.459712D+01 -0.170181D+01 -0.534979D+01
                51            52            53            54            55 
      1   0.560651D+01  0.349599D+02 -0.322149D+01  0.110692D+02 -0.273861D+02
      2  -0.111645D+02 -0.103049D+02 -0.107711D+01 -0.669888D+01  0.125192D+02
      3   0.555799D+01 -0.246550D+02  0.429860D+01 -0.437036D+01  0.148668D+02
      4   0.101098D+01 -0.408181D+01  0.773707D+00  0.770794D+01 -0.768335D+01
      5   0.740605D+01  0.496634D+01  0.678871D+01 -0.496890D+01 -0.555684D+01
      6   0.368829D+01  0.114847D+02 -0.305886D+01  0.741836D+01  0.112475D+01
                56            57            58            59            60 
      1  -0.114055D+02 -0.639032D+01 -0.346528D+02 -0.262150D+02  0.124402D+01
      2   0.849618D+01  0.774062D+00  0.255609D+02  0.545217D+01  0.654783D+01
      3   0.290929D+01  0.561626D+01  0.909183D+01  0.207628D+02 -0.779184D+01
      4  -0.308854D+02  0.329988D+00 -0.487471D+02  0.140260D+02 -0.164389D+02
      5  -0.661431D-01 -0.130675D+02 -0.871806D+00 -0.157626D+02  0.135614D+02
      6   0.689699D+00  0.150836D+01  0.400358D+00  0.412411D+01 -0.509525D+01
                61            62            63            64            65 
      1  -0.159142D+02  0.127222D+01 -0.198868D+01 -0.925478D+02  0.323664D+02
      2  -0.186461D+01  0.804226D+01  0.730344D+01  0.503942D+02 -0.143985D+02
      3   0.177788D+02 -0.931448D+01 -0.531476D+01  0.421535D+02 -0.179680D+02
      4  -0.276469D+00 -0.210513D+02  0.266761D+02  0.315473D+02  0.267478D+02
      5  -0.244222D+02  0.231330D+02  0.387723D+02  0.275803D+02 -0.277483D+01
      6   0.112661D+02 -0.547509D+01 -0.124139D+02  0.871970D+00 -0.292301D+01
                66            67            68            69            70 
      1   0.269530D+02  0.648940D+02  0.265191D+02 -0.867671D+01  0.375981D+02
      2  -0.151038D+02 -0.302313D+02 -0.131662D+02  0.883054D+01 -0.154174D+02
      3  -0.118492D+02 -0.346627D+02 -0.133529D+02 -0.153828D+00 -0.221806D+02
      4  -0.139955D+01  0.317862D+02  0.854917D+01  0.254197D+02  0.200510D+01
      5   0.724127D+01 -0.273710D+01  0.267424D+02 -0.215649D+02 -0.182704D+01
      6   0.174170D+01  0.187590D+01  0.694086D+01 -0.482682D+01 -0.287690D+01
                71            72            73            74            75 
      1  -0.503903D+01  0.200576D+01  0.366278D+02 -0.251719D+02 -0.219453D+02
      2   0.862388D+01 -0.367699D+00 -0.188218D+02  0.610115D+01  0.119196D+02
      3  -0.358485D+01 -0.163806D+01 -0.178060D+02  0.190708D+02  0.100257D+02
      4   0.236196D+02 -0.173386D+02 -0.243045D+02 -0.338410D+02 -0.628964D+01
      5  -0.178983D+02 -0.359094D+02 -0.141127D+02 -0.873845D+01 -0.191665D+02
      6  -0.551180D+01 -0.533799D+01 -0.158582D+02 -0.985802D+01 -0.695897D+00
                76            77            78            79            80 
      1  -0.330851D+02 -0.294906D+02 -0.786483D+00 -0.249068D+02  0.147430D+01
      2   0.785991D+01  0.196152D+02 -0.121550D+02  0.122275D+02 -0.118912D+02
      3   0.252252D+02  0.987536D+01  0.129415D+02  0.126793D+02  0.104169D+02
      4  -0.437469D+02 -0.109385D+02 -0.391300D+02 -0.191435D+01 -0.278242D+02
      5  -0.899796D+01 -0.461340D+02  0.222974D+02 -0.110153D+02  0.200521D+02
      6  -0.155952D+02 -0.558997D+01 -0.113709D+02  0.206135D+01 -0.951918D+01
                81            82            83            84            85 
      1  -0.102962D+02  0.374268D+02 -0.231219D+02 -0.132007D+02 -0.310498D+02
      2  -0.493264D+00 -0.373926D+02 -0.173973D+00  0.660869D+01  0.137848D+01
      3   0.107895D+02 -0.342113D-01  0.232958D+02  0.659204D+01  0.296714D+02
      4   0.174312D+02 -0.200669D+02 -0.415790D+02 -0.844153D+00 -0.411287D+02
      5   0.156683D+02 -0.160402D+02  0.626394D+01 -0.458942D+01  0.405124D+01
      6   0.133152D+02  0.766718D+00  0.464374D+01 -0.290763D+01  0.286501D+01
                86            87            88            89            90 
      1  -0.281898D+02  0.910937D+01 -0.153574D+02  0.327783D+01  0.189674D+01
      2   0.492476D+00 -0.729186D+01  0.204934D+01 -0.832268D+01  0.238920D+02
      3   0.276973D+02 -0.181750D+01  0.133081D+02  0.504486D+01 -0.257887D+02
      4  -0.311475D+02 -0.164953D+02 -0.108604D+02 -0.239284D+02  0.102862D+02
      5  -0.144119D+02  0.215754D+02 -0.336712D+01  0.132841D+02  0.511069D+02
      6  -0.744790D+01  0.110525D+02 -0.148531D+01  0.101441D+02  0.121459D+02
                91            92            93            94            95 
      1   0.113419D+02 -0.616622D+01 -0.280010D+01 -0.145934D+02 -0.155137D+02
      2  -0.880738D+01 -0.107416D+01 -0.426374D+00  0.703663D+01  0.650153D+01
      3  -0.253452D+01  0.724038D+01  0.322648D+01  0.755675D+01  0.901218D+01
      4  -0.221935D+02 -0.162712D+02 -0.796179D+01 -0.372797D+02  0.162898D+02
      5  -0.902994D+01 -0.704705D+01 -0.957899D+01 -0.121263D+02 -0.243372D+01
      6  -0.466253D+01 -0.237984D+01 -0.423058D+01 -0.217644D+01 -0.532380D+01
                96            97            98            99           100 
      1  -0.619602D+01 -0.174603D+02 -0.849889D+01 -0.228962D+01 -0.345353D+01
      2  -0.538684D-01  0.104391D+01 -0.132454D+01  0.799892D+01  0.292649D-01
      3   0.624989D+01  0.164164D+02  0.982343D+01 -0.570930D+01  0.342426D+01
      4  -0.196642D+01 -0.184953D+02 -0.140523D+02 -0.159446D+02  0.114755D+02
      5  -0.135026D+02 -0.160649D+02 -0.147785D+02  0.306725D+02 -0.150760D+02
      6  -0.285472D+01 -0.785493D+01 -0.292203D+01  0.879356D+01  0.565043D+01
               101           102           103           104           105 
      1   0.516947D+01 -0.722567D+01  0.169761D+02  0.286251D+01  0.904128D+01
      2  -0.213811D+00  0.483753D+01 -0.120789D+02  0.182288D+01 -0.265541D+01
      3  -0.495566D+01  0.238813D+01 -0.489716D+01 -0.468539D+01 -0.638587D+01
      4  -0.898703D+00  0.725472D+01 -0.307900D+01 -0.149093D+02 -0.386699D+01
      5   0.647230D+01 -0.218412D+01  0.798942D+01 -0.369672D+01  0.208484D+02
      6  -0.564702D+01  0.576039D+01 -0.216192D+01 -0.371811D+00 -0.146486D+02
               106           107           108           109           110 
      1  -0.209687D+02  0.946070D+01 -0.447410D+01  0.408652D+02 -0.127192D+02
      2   0.813216D+01  0.185206D+01  0.155139D+01 -0.192363D+02  0.399311D+01
      3   0.128366D+02 -0.113128D+02  0.292272D+01 -0.216288D+02  0.872608D+01
      4   0.182955D+02 -0.136642D+02  0.198930D+02 -0.244686D+02  0.199644D+02
      5  -0.164482D+02  0.173498D+02 -0.231692D+02  0.295674D+02 -0.649509D+01
      6   0.106910D+02 -0.165325D+02  0.648194D+01 -0.114227D+02  0.405996D+01
               111           112           113           114           115 
      1   0.231192D+02 -0.143115D+02  0.326016D+01 -0.163367D+01  0.353368D+02
      2  -0.132836D+02  0.164237D+01  0.864879D+01 -0.184631D+01 -0.175504D+02
      3  -0.983562D+01  0.126691D+02 -0.119090D+02  0.347999D+01 -0.177865D+02
      4  -0.105687D+02  0.253772D+02 -0.229711D+02  0.182307D+02 -0.224227D+02
      5   0.215369D+02 -0.120005D+02  0.173821D+02 -0.189212D+02  0.330638D+02
      6  -0.776008D+01  0.629320D+01 -0.120150D+02  0.180693D+02 -0.113958D+02
               116           117           118           119           120 
      1  -0.264721D+01  0.101826D+02 -0.916234D+00 -0.929042D+01 -0.122454D+02
      2  -0.390046D+01 -0.131039D+02 -0.250473D+01  0.114330D+02  0.760287D+01
      3   0.654767D+01  0.292132D+01  0.342097D+01 -0.214253D+01  0.464253D+01
      4   0.288907D+02 -0.187471D+02  0.114865D+01 -0.528440D+01  0.367554D+01
      5  -0.168774D+02  0.555501D+02 -0.790533D+01 -0.852327D+00  0.582169D+01
      6   0.160624D+02 -0.279282D+02  0.388235D+01  0.521209D+01  0.125883D+01
               121           122           123           124           125 
      1  -0.306299D+01 -0.456845D+01 -0.522004D+01 -0.103023D+02 -0.878241D+01
      2   0.111159D+02 -0.148104D+02  0.234365D+01  0.559009D+01  0.794819D+01
      3  -0.805295D+01  0.193789D+02  0.287639D+01  0.471224D+01  0.834219D+00
      4  -0.734296D+01  0.364393D+02 -0.337446D+01  0.115229D+02 -0.169528D+02
      5   0.160810D+01 -0.258456D+01 -0.375276D+01  0.148836D+02 -0.160607D+02
      6   0.295590D+01  0.155318D+01  0.101391D+02 -0.541580D+01  0.197661D+02
               126           127           128           129           130 
      1  -0.106121D+02  0.267063D+00  0.814904D+00  0.257610D+01 -0.211174D+01
      2  -0.585733D+01 -0.548794D+01 -0.155202D+01  0.548997D+01 -0.759065D+00
      3   0.164694D+02  0.522088D+01  0.737114D+00 -0.806607D+01  0.287081D+01
      4  -0.143184D+02  0.190509D+01  0.273006D+01 -0.768570D+00  0.183051D+01
      5  -0.312592D+02 -0.934121D+01 -0.255693D+01  0.113254D+02 -0.261772D+01
      6   0.226951D+02  0.311538D+00 -0.171547D+01 -0.126275D+01 -0.144422D+01
               131           132           133           134           135 
      1  -0.302693D+01  0.711539D+01  0.371500D+01  0.401302D+01 -0.228127D+02
      2  -0.854743D+00  0.319038D+01  0.712336D+01  0.231545D+01 -0.159791D+02
      3   0.388168D+01 -0.103058D+02 -0.108384D+02 -0.632847D+01  0.387918D+02
      4   0.125974D+01 -0.177782D+01 -0.221803D+01 -0.356124D+01  0.238437D+01
      5  -0.294394D+01  0.370580D+01  0.123844D+02  0.420234D+01 -0.199493D+02
      6  -0.280443D+01  0.201581D+01  0.520644D+00  0.522436D+01 -0.115916D+01
               136           137           138           139           140 
      1   0.362434D+01 -0.178628D+00 -0.155068D+01  0.108598D+00 -0.192842D+01
      2  -0.587776D+01  0.941205D+00 -0.423698D+01  0.215022D+01 -0.337380D+00
      3   0.225342D+01 -0.762577D+00  0.578767D+01 -0.225882D+01  0.226580D+01
      4  -0.293204D+01  0.382234D+01 -0.105375D+01  0.242561D+01 -0.316476D+01
      5   0.115249D+02 -0.318459D+01  0.971236D+01 -0.472305D+01  0.353737D+01
      6  -0.722677D+00  0.187456D+01 -0.947026D+00  0.886471D+00 -0.303913D+01
               141           142           143           144           145 
      1   0.492184D+01 -0.385125D+01  0.451055D+01 -0.122723D+02 -0.292008D+01
      2   0.250014D+01 -0.543036D+01  0.118652D+01 -0.842490D+01 -0.264809D+01
      3  -0.742198D+01  0.928161D+01 -0.569707D+01  0.206972D+02  0.556817D+01
      4   0.137310D+01 -0.121901D+01  0.265223D+01 -0.224246D+01  0.524391D+01
      5  -0.582588D+01  0.119617D+02 -0.433362D+01  0.149680D+02 -0.876758D+01
      6   0.224710D+01 -0.186298D+01  0.480116D+01 -0.358907D+01 -0.596793D+01
               146           147           148           149           150 
      1  -0.182267D+01  0.563400D+01 -0.264679D+01 -0.512116D+01  0.915734D+01
      2   0.436538D+00  0.283226D+01 -0.410432D+00  0.106260D+01  0.154958D+00
      3   0.138613D+01 -0.846627D+01  0.305722D+01  0.405856D+01 -0.931229D+01
      4   0.373783D+01 -0.547025D+01  0.219190D+01  0.197623D+01 -0.295753D+01
      5  -0.337983D+01  0.114150D+02 -0.307744D+01 -0.264203D+01  0.375929D+01
      6  -0.360595D+01  0.626533D+01 -0.307414D+01 -0.574747D+01  0.957532D+01
               151           152           153           154           155 
      1   0.770436D+01  0.110277D+02 -0.295742D+02  0.357440D+01  0.278759D+01
      2   0.188995D+01 -0.314460D+01 -0.546908D+01 -0.250348D+01 -0.339003D+01
      3  -0.959432D+01 -0.788307D+01  0.350433D+02 -0.107092D+01  0.602443D+00
      4  -0.598348D+01 -0.510225D+01  0.805987D+01 -0.103806D+02  0.823444D+01
      5   0.105635D+02  0.502194D+01 -0.166489D+02  0.159756D+02 -0.547884D+01
      6   0.877110D+01  0.131382D+02 -0.243712D+02 -0.846234D+01  0.620919D+01
               156           157           158           159           160 
      1  -0.998815D+00  0.688852D+00 -0.388532D+01  0.531375D+01 -0.401881D+01
      2  -0.150617D+01 -0.482037D-02  0.241170D+01 -0.750264D+00 -0.140191D+01
      3   0.250499D+01 -0.684032D+00  0.147362D+01 -0.456348D+01  0.542072D+01
      4  -0.799903D+01  0.628455D+01 -0.643540D+01  0.647085D+01 -0.867568D+01
      5   0.135852D+02 -0.728423D+01  0.575198D+01 -0.871505D+01  0.150698D+02
      6  -0.838159D+01  0.611801D+01 -0.703605D+01  0.922783D+01 -0.105441D+02
               161           162           163           164           165 
      1   0.817210D+01 -0.136153D+02  0.801980D+01 -0.235270D+01 -0.844570D+01
      2  -0.466729D+01 -0.126609D+01 -0.738898D+01  0.670790D+00  0.630334D+01
      3  -0.350481D+01  0.148814D+02 -0.630816D+00  0.168191D+01  0.214236D+01
      4   0.787702D+01 -0.107002D+02 -0.583580D+01  0.993185D+01  0.690881D+01
      5  -0.783414D+01  0.197412D+02 -0.153984D+02  0.509470D+01  0.162304D+02
      6   0.121855D+02 -0.184775D+02  0.467579D+01 -0.191317D+01 -0.323448D+01
               166           167           168           169           170 
      1   0.446937D+01  0.107275D+01 -0.269541D+01 -0.143416D+02 -0.467245D+01
      2  -0.336299D+01  0.496299D+00  0.113423D+01  0.132526D+02  0.481828D+00
      3  -0.110638D+01 -0.156905D+01  0.156118D+01  0.108896D+01  0.419062D+01
      4   0.118229D+02 -0.989188D+01 -0.911052D+01  0.120914D+02 -0.140299D+02
      5   0.482277D+01 -0.912289D+01 -0.929947D+01  0.277852D+02 -0.187851D+02
      6  -0.333187D+01  0.656727D+01  0.969919D+01 -0.941365D+01  0.121983D+02
               171           172           173           174           175 
      1  -0.499247D+01  0.194829D+02 -0.103799D+02  0.626206D+01 -0.107964D+02
      2  -0.120624D+02 -0.329463D+01 -0.543162D+00 -0.165437D+01 -0.437415D+01
      3   0.170549D+02 -0.161883D+02  0.109231D+02 -0.460768D+01  0.151706D+02
      4  -0.221510D+02 -0.229067D+02  0.261864D+02 -0.571844D+01  0.334540D+02
      5  -0.511201D+02  0.846127D+01 -0.353623D+01  0.706385D+01 -0.465281D+01
      6   0.202855D+02 -0.278017D+01  0.148573D+00 -0.164616D+01  0.163748D+01
               176           177           178           179           180 
      1   0.377750D+01 -0.508610D+00  0.170260D+02 -0.498984D+00  0.236162D+01
      2   0.189626D+02 -0.435558D+01 -0.421411D+01 -0.695719D+01  0.419772D+00
      3  -0.227401D+02  0.486419D+01 -0.128119D+02  0.745617D+01 -0.278139D+01
      4  -0.481416D+02  0.117761D+02 -0.141806D+02  0.223774D+02 -0.140680D+02
      5   0.103931D+02 -0.843854D+01  0.100165D+02 -0.122584D+02  0.683592D+01
      6  -0.370939D+01  0.523379D+01 -0.410225D+01  0.604388D+01 -0.365902D+01
               181           182           183           184           185 
      1   0.145405D+03 -0.184091D+02 -0.187560D+02 -0.271794D+02  0.144365D+02
      2  -0.741511D+02  0.955384D+01  0.938968D+01  0.134508D+02 -0.537605D+01
      3  -0.712539D+02  0.885530D+01  0.936633D+01  0.137286D+02 -0.906048D+01
      4  -0.149457D+02  0.133221D+02  0.196066D+01  0.180531D+02 -0.891533D+01
      5  -0.224496D+02  0.272460D+01  0.167734D+02  0.326074D+01 -0.675437D+01
      6   0.103786D+01 -0.127942D+01  0.116482D+01 -0.154068D+01  0.993153D-01
               186           187           188           189           190 
      1   0.369713D+01 -0.214469D+02  0.281513D+01  0.174382D+02  0.358007D+02
      2  -0.241199D+01  0.122829D+02 -0.236627D+01 -0.107612D+02 -0.160068D+02
      3  -0.128514D+01  0.916405D+01 -0.448862D+00 -0.667706D+01 -0.197939D+02
      4  -0.624026D+01  0.121378D+01 -0.575930D+01 -0.630583D+00  0.344299D+02
      5  -0.117682D+01  0.241416D+02 -0.973309D+00 -0.555100D+01  0.283487D+02
      6   0.245553D+01 -0.492038D-01  0.265092D+01  0.855636D+00  0.127304D+02
               191           192           193           194           195 
      1   0.220813D+02  0.145066D+02  0.262187D+02  0.164406D+02  0.640930D+01
      2  -0.641092D+01 -0.100850D+02 -0.740197D+01  0.142341D+01 -0.338888D+01
      3  -0.156704D+02 -0.442154D+01 -0.188168D+02 -0.178640D+02 -0.302042D+01
      4   0.316814D+02  0.139011D+02  0.400551D+02  0.474053D+02  0.237954D+02
      5   0.173000D+02  0.226059D+02  0.243674D+02  0.277680D+02  0.211874D+02
      6   0.114955D+02  0.806620D+01  0.152212D+02  0.202985D+02  0.147432D+02
               196           197           198           199           200 
      1   0.863980D+01  0.230983D+01  0.748756D+01  0.112377D+02 -0.718955D+01
      2  -0.707347D+01 -0.215220D+01 -0.629375D+01 -0.946204D+01  0.611629D+01
      3  -0.156633D+01 -0.157634D+00 -0.119380D+01 -0.177565D+01  0.107326D+01
      4   0.103491D+02  0.129000D+02  0.123600D+02 -0.795548D+01  0.132420D+02
      5   0.192775D+02  0.129355D+02  0.155669D+02  0.177519D+02 -0.837882D+01
      6   0.750530D+01  0.105654D+02  0.803185D+01 -0.181783D+01  0.448854D+01
               201           202           203           204           205 
      1   0.127954D+02 -0.120186D+02  0.742682D+01 -0.411158D+01  0.108907D+02
      2  -0.110773D+02  0.107288D+02 -0.916383D+01  0.141825D+02 -0.114912D+02
      3  -0.171814D+01  0.128987D+01  0.173701D+01 -0.100709D+02  0.600556D+00
      4  -0.606289D+01  0.147144D+02 -0.293754D+02  0.227813D+02 -0.621952D+01
      5   0.184722D+02 -0.158478D+02  0.258650D+02 -0.319948D+02  0.195585D+02
      6  -0.199464D+01  0.546398D+01 -0.132325D+02  0.101187D+02 -0.263909D+01
               206           207           208           209           210 
      1  -0.159235D+01  0.279920D+01 -0.471801D+02  0.990146D+01  0.139184D+02
      2   0.988536D+01 -0.183037D+02  0.229972D+02 -0.568407D+01 -0.205726D+01
      3  -0.829301D+01  0.155046D+02  0.241829D+02 -0.421739D+01 -0.118612D+02
      4   0.168886D+02 -0.182071D+02 -0.359675D+01 -0.243952D+01 -0.113915D+01
      5  -0.198800D+02  0.353478D+02 -0.102960D+02 -0.108025D+01 -0.736973D+01
      6   0.996435D+01 -0.834207D+01  0.615548D+01 -0.496263D+01 -0.628802D+01
               211           212           213           214           215 
      1   0.874853D+01 -0.790434D+01 -0.632358D+01  0.106948D+02 -0.391256D+01
      2  -0.396365D+01  0.468167D+01  0.392030D+01 -0.216181D+01  0.209978D+01
      3  -0.478488D+01  0.322266D+01  0.240328D+01 -0.853295D+01  0.181279D+01
      4   0.199459D+01  0.332596D+01  0.584289D+01  0.182102D+00  0.390362D+01
      5   0.352237D-01  0.493409D+01 -0.799924D-02  0.133794D+01 -0.137035D+01
      6  -0.224217D+01  0.411007D+01  0.534115D+01 -0.374249D+01  0.431674D+01
               216           217           218           219           220 
      1  -0.104983D+02 -0.439912D+02  0.142304D+02  0.214769D+01  0.960295D+01
      2   0.113441D+01  0.296398D+02 -0.139039D+02 -0.224322D+01 -0.832559D+01
      3   0.936393D+01  0.143513D+02 -0.326449D+00  0.955343D-01 -0.127736D+01
      4  -0.138785D+01 -0.129295D+02 -0.336069D+01  0.343580D+01  0.253567D+01
      5   0.331623D+01  0.125176D+02  0.309332D+00 -0.612330D+01 -0.148264D+01
      6   0.242710D+01  0.509042D+00  0.306481D+01 -0.489003D+01  0.146421D+01
               221           222           223           224           225 
      1  -0.112626D+02  0.102633D-01  0.625851D+01 -0.314741D+01 -0.645633D+01
      2   0.130810D+02  0.684381D+00 -0.394424D+01  0.427374D+01  0.794349D+00
      3  -0.181839D+01 -0.694644D+00 -0.231428D+01 -0.112633D+01  0.566198D+01
      4   0.461824D+01  0.968224D+00  0.165804D+01  0.404612D+01 -0.139068D+01
      5   0.309682D+01 -0.351048D+00 -0.230274D+01  0.243947D+00 -0.314518D+01
      6  -0.106789D+01  0.979635D+00 -0.278273D+01  0.128201D+01 -0.636033D+00
               226           227           228           229           230 
      1   0.456284D+00  0.228260D+01 -0.879366D+01 -0.928129D+00  0.640036D+00
      2  -0.247668D+01  0.363211D+00  0.691177D+01  0.241255D+01 -0.173650D+01
      3   0.202039D+01 -0.264581D+01  0.188189D+01 -0.148442D+01  0.109646D+01
      4   0.301083D+01  0.665900D+01 -0.282396D+01  0.480579D+01  0.437513D+00
      5  -0.105321D+02 -0.124189D+01  0.136591D+02  0.914046D+00 -0.589326D+01
      6  -0.274365D+01 -0.126173D+01  0.175939D+01 -0.898895D+00 -0.225301D+00
               231           232           233           234           235 
      1   0.226030D+00 -0.851296D+01  0.215960D+01 -0.133045D+02  0.280208D+02
      2  -0.469273D+01  0.856356D+01 -0.373231D+01 -0.256269D+02 -0.600898D+00
      3   0.446670D+01 -0.505993D-01  0.157271D+01  0.389314D+02 -0.274199D+02
      4  -0.491733D+01 -0.516848D+01 -0.868062D+01  0.417807D+01  0.415017D+02
      5  -0.934864D+01  0.171430D+02  0.360622D+01 -0.698083D+02 -0.370231D+01
      6   0.366488D+01  0.442956D+01  0.786524D+01 -0.252467D+02 -0.307622D+01
               236           237           238           239           240 
      1   0.210085D+02  0.217657D+01  0.191208D+02  0.110491D+02 -0.407328D+00
      2   0.512482D+01  0.703902D-01  0.784652D+01  0.270235D+02  0.122656D+01
      3  -0.261333D+02 -0.224696D+01 -0.269673D+02 -0.380726D+02 -0.819230D+00
      4   0.448103D+02 -0.107256D+01  0.469208D+02  0.680590D+02 -0.695830D+00
      5  -0.538323D+01  0.939840D+01 -0.537701D+01 -0.428058D+01  0.678932D+01
      6  -0.474473D+01  0.538597D+01 -0.473383D+01 -0.789976D+01  0.617666D+01
               241           242           243           244           245 
      1   0.720716D+01  0.195692D+01  0.369154D+01  0.934756D+00  0.329375D+01
      2   0.228995D+00  0.520990D+01 -0.129451D+01 -0.435430D+01 -0.149312D+01
      3  -0.743615D+01 -0.716682D+01 -0.239703D+01  0.341954D+01 -0.180062D+01
      4   0.846988D+01  0.134902D+02  0.807663D+01  0.594271D+01  0.545740D+01
      5   0.774658D+01  0.649822D+01 -0.195835D+01 -0.121507D+02 -0.150640D+01
      6   0.441701D+01  0.488648D+01  0.166601D+00 -0.360870D+01 -0.520351D+00
               246           247           248           249           250 
      1  -0.676843D+01  0.419963D+01  0.130809D+00  0.194178D+01 -0.806448D+01
      2   0.526569D+01 -0.178093D+01 -0.136829D+00 -0.378614D+00  0.852466D+01
      3   0.150274D+01 -0.241870D+01  0.602083D-02 -0.156317D+01 -0.460179D+00
      4  -0.263425D+01  0.924188D+01  0.440717D+01 -0.720889D+01 -0.418950D+01
      5   0.124474D+02 -0.215012D+01 -0.725029D+01  0.891847D+01  0.171976D+02
      6   0.212538D+01 -0.173544D+01 -0.387313D+01  0.696649D+01  0.318197D+01
               251           252           253           254           255 
      1   0.219568D+01 -0.584011D+01 -0.863204D+02 -0.856128D+01  0.106848D+02
      2   0.657096D+00 -0.133185D+02  0.443032D+02  0.138821D+02 -0.643140D+01
      3  -0.285278D+01  0.191586D+02  0.420172D+02 -0.532082D+01 -0.425336D+01
      4  -0.987222D+01  0.902663D+01 -0.148194D+02  0.254372D+02  0.941715D+01
      5   0.755765D+01 -0.414364D+02  0.131868D+02  0.574839D+01  0.102824D+02
      6   0.619342D+01 -0.116757D+02  0.950524D+01  0.417528D+01  0.408517D+01
               256           257           258           259           260 
      1   0.142455D+02  0.366804D+02  0.321306D+00  0.287034D+02  0.149065D+01
      2   0.123311D+00 -0.380447D+02 -0.230884D-01 -0.106309D+02  0.375056D+01
      3  -0.143688D+02  0.136427D+01 -0.298218D+00 -0.180726D+02 -0.524120D+01
      4   0.338642D+02 -0.185170D+02  0.110573D+02  0.208137D+02  0.188141D+02
      5   0.106544D+02  0.141280D+02  0.129427D+02  0.157017D+02  0.117974D+02
      6   0.668398D+01  0.383937D+01  0.671190D+01  0.774045D+01  0.717619D+01
               261           262           263           264           265 
      1   0.132543D+02  0.320489D+01 -0.576105D+01 -0.118692D+01 -0.323770D+01
      2   0.621604D+01  0.342818D+01 -0.302803D+01 -0.369816D+00 -0.753185D+01
      3  -0.194704D+02 -0.663307D+01  0.878908D+01  0.155674D+01  0.107695D+02
      4   0.153172D+02 -0.116095D+02  0.178106D+02  0.354244D+01  0.218670D+02
      5  -0.276517D+02 -0.408012D+01  0.480820D+01  0.310452D+01  0.553876D+01
      6  -0.850168D+01  0.310284D+01 -0.374152D+01 -0.135849D+01 -0.495506D+01
               266           267           268           269           270 
      1  -0.134145D+02 -0.370871D+01  0.528751D+00  0.326563D+00 -0.156496D+01
      2   0.389550D+02  0.537223D+01  0.213645D+01 -0.700131D+01  0.178507D+01
      3  -0.255405D+02 -0.166352D+01 -0.266520D+01  0.667475D+01 -0.220109D+00
      4  -0.575517D+02 -0.109738D+02 -0.350855D+01  0.897233D+01 -0.312570D+01
      5  -0.129910D+02 -0.980304D+01  0.174380D+01 -0.288534D+01 -0.220115D+01
      6   0.169637D+02  0.821807D+01 -0.988902D+00  0.356859D+01  0.171315D+01
               271           272           273           274           275 
      1   0.131630D+03  0.116683D+02 -0.548262D+01 -0.474072D+01  0.750873D+01
      2  -0.622037D+02 -0.191984D+01  0.230386D+01  0.553538D+01 -0.414465D+00
      3  -0.694262D+02 -0.974842D+01  0.317876D+01 -0.794652D+00 -0.709426D+01
      4   0.461979D+02  0.188039D+02 -0.522472D+00  0.131285D+02  0.594607D+01
      5   0.265073D+01  0.102545D+01  0.129141D+02 -0.787564D+00 -0.195953D+01
      6  -0.158446D+01  0.118084D+01  0.388931D+01  0.153302D+00 -0.251533D+00
               276           277           278           279           280 
      1   0.360623D+00 -0.179503D+02 -0.156854D+01  0.102392D+02  0.822623D+00
      2  -0.413683D+00  0.766924D+01 -0.655335D+00 -0.727017D+01  0.325711D+01
      3   0.530599D-01  0.102811D+02  0.222387D+01 -0.296902D+01 -0.407973D+01
      4  -0.218719D+01 -0.809017D+01 -0.556087D+01  0.245486D+01  0.420502D+01
      5  -0.159738D+01  0.143371D+02  0.303760D+00 -0.803075D+00 -0.263969D+01
      6   0.260601D-01  0.389547D+01  0.725194D+00 -0.353049D+00 -0.992345D+00
               281           282           283           284           285 
      1   0.139364D+02 -0.161593D+01  0.104917D+02 -0.327981D+02 -0.216000D+00
      2  -0.144207D+02  0.114484D+01 -0.434367D+01  0.545983D+02 -0.727827D+00
      3   0.484283D+00  0.471083D+00 -0.614808D+01 -0.218002D+02  0.943826D+00
      4  -0.665414D+01 -0.190852D+01  0.945912D+01  0.538816D+02 -0.248292D+00
      5  -0.932534D-02 -0.254795D+01  0.134725D+01 -0.284159D+01  0.592517D+01
      6  -0.133850D+01 -0.231353D+01 -0.565133D-01  0.464266D+01  0.660532D+01
               286           287           288           289           290 
      1  -0.560678D+01  0.172345D+01 -0.595731D+01  0.725442D+01  0.758337D+00
      2   0.208208D+01 -0.517812D+01  0.481328D+01 -0.674888D+01 -0.179314D+01
      3   0.352470D+01  0.345466D+01  0.114403D+01 -0.505530D+00  0.103481D+01
      4  -0.413517D+01 -0.815745D+01  0.410447D+01  0.746543D-01 -0.302244D+01
      5   0.100565D+00  0.536389D+01  0.677859D+00  0.429830D+01 -0.107871D+01
      6  -0.525098D+00  0.693089D+01 -0.273629D+00  0.448665D+00 -0.126097D+01
               291           292           293           294           295 
      1   0.582498D+01 -0.557676D+01 -0.638245D+01 -0.647885D+00  0.106405D+02
      2  -0.247785D+01  0.213004D+01  0.361122D+01  0.304854D+01 -0.672634D+01
      3  -0.334713D+01  0.344673D+01  0.277123D+01 -0.240065D+01 -0.391416D+01
      4   0.437284D+00 -0.354836D+01 -0.290625D+01  0.274445D+01  0.579055D+01
      5   0.129404D+01 -0.227822D+01  0.252369D+01 -0.522115D+01  0.105665D+02
      6  -0.802491D+00 -0.723538D+00  0.154081D+00  0.164883D+01  0.211677D+01
               296           297 
      1  -0.105002D+01 -0.114473D+02
      2   0.328976D+01 -0.139394D+02
      3  -0.223974D+01  0.253867D+02
      4   0.906825D+01  0.151288D+00
      5   0.116495D+01  0.452014D+02
      6   0.458100D+01  0.173379D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 18:18:09 2021, MaxMem=  6442450944 cpu:          153180.2 elap:           19173.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52611 -19.47316 -10.58102 -10.46342 -10.45571
 Alpha  occ. eigenvalues --  -10.44901 -10.44432 -10.44228 -10.44193 -10.44145
 Alpha  occ. eigenvalues --  -10.44093 -10.43522 -10.43338 -10.42100 -10.42074
 Alpha  occ. eigenvalues --   -1.25924  -1.15930  -1.01676  -0.96813  -0.94040
 Alpha  occ. eigenvalues --   -0.88869  -0.88308  -0.82177  -0.81894  -0.80644
 Alpha  occ. eigenvalues --   -0.74335  -0.73471  -0.69920  -0.68210  -0.63570
 Alpha  occ. eigenvalues --   -0.62751  -0.61566  -0.59330  -0.58086  -0.57518
 Alpha  occ. eigenvalues --   -0.56687  -0.54660  -0.54186  -0.53680  -0.53421
 Alpha  occ. eigenvalues --   -0.52535  -0.50291  -0.49111  -0.48697  -0.47918
 Alpha  occ. eigenvalues --   -0.47844  -0.46762  -0.44941  -0.44562  -0.43928
 Alpha  occ. eigenvalues --   -0.43376  -0.42892  -0.41661  -0.39783  -0.35401
 Alpha  occ. eigenvalues --   -0.33564
 Alpha virt. eigenvalues --   -0.01407  -0.00906  -0.00520  -0.00256   0.00491
 Alpha virt. eigenvalues --    0.00564   0.00978   0.01559   0.01879   0.02428
 Alpha virt. eigenvalues --    0.02811   0.02919   0.03016   0.03989   0.04689
 Alpha virt. eigenvalues --    0.05115   0.05141   0.05493   0.05855   0.06255
 Alpha virt. eigenvalues --    0.06317   0.07169   0.07757   0.08287   0.08858
 Alpha virt. eigenvalues --    0.08934   0.09621   0.09921   0.10279   0.10902
 Alpha virt. eigenvalues --    0.11083   0.11217   0.11389   0.11607   0.11940
 Alpha virt. eigenvalues --    0.12353   0.12678   0.12912   0.13081   0.13678
 Alpha virt. eigenvalues --    0.13797   0.14085   0.14394   0.14714   0.14925
 Alpha virt. eigenvalues --    0.15678   0.15860   0.16497   0.16597   0.17041
 Alpha virt. eigenvalues --    0.17349   0.17566   0.17978   0.18340   0.18679
 Alpha virt. eigenvalues --    0.19054   0.19597   0.19976   0.20311   0.20494
 Alpha virt. eigenvalues --    0.21201   0.21691   0.22343   0.23117   0.23334
 Alpha virt. eigenvalues --    0.23796   0.24229   0.24508   0.24665   0.25102
 Alpha virt. eigenvalues --    0.25755   0.26654   0.26952   0.27268   0.27791
 Alpha virt. eigenvalues --    0.27844   0.28274   0.28714   0.28862   0.29004
 Alpha virt. eigenvalues --    0.29975   0.30141   0.30581   0.30972   0.31262
 Alpha virt. eigenvalues --    0.31584   0.31794   0.32441   0.32962   0.33375
 Alpha virt. eigenvalues --    0.33694   0.33907   0.34686   0.35038   0.35276
 Alpha virt. eigenvalues --    0.35397   0.35960   0.35993   0.36503   0.37624
 Alpha virt. eigenvalues --    0.38315   0.38564   0.39063   0.39648   0.40079
 Alpha virt. eigenvalues --    0.40560   0.40953   0.41419   0.41645   0.41934
 Alpha virt. eigenvalues --    0.42634   0.42934   0.43180   0.43553   0.43999
 Alpha virt. eigenvalues --    0.44168   0.44757   0.44840   0.45337   0.45468
 Alpha virt. eigenvalues --    0.45600   0.45841   0.46659   0.47612   0.48254
 Alpha virt. eigenvalues --    0.48451   0.48749   0.49208   0.49608   0.49788
 Alpha virt. eigenvalues --    0.50126   0.51040   0.51521   0.51907   0.52211
 Alpha virt. eigenvalues --    0.53027   0.53081   0.53708   0.54286   0.54710
 Alpha virt. eigenvalues --    0.55045   0.55183   0.55270   0.56104   0.56952
 Alpha virt. eigenvalues --    0.57403   0.57730   0.58145   0.58414   0.58569
 Alpha virt. eigenvalues --    0.58791   0.59900   0.60423   0.60576   0.61198
 Alpha virt. eigenvalues --    0.61619   0.61772   0.62007   0.62564   0.63203
 Alpha virt. eigenvalues --    0.63380   0.63490   0.64374   0.64584   0.64827
 Alpha virt. eigenvalues --    0.65311   0.65899   0.66062   0.66958   0.67495
 Alpha virt. eigenvalues --    0.67620   0.67764   0.68473   0.68704   0.68928
 Alpha virt. eigenvalues --    0.69530   0.69919   0.70504   0.70659   0.71341
 Alpha virt. eigenvalues --    0.71594   0.71941   0.72306   0.72883   0.73046
 Alpha virt. eigenvalues --    0.73490   0.74641   0.75331   0.75442   0.75835
 Alpha virt. eigenvalues --    0.76621   0.77051   0.77243   0.77642   0.78210
 Alpha virt. eigenvalues --    0.78602   0.79582   0.80056   0.80213   0.80750
 Alpha virt. eigenvalues --    0.81686   0.81778   0.82021   0.82384   0.83571
 Alpha virt. eigenvalues --    0.83887   0.85042   0.85195   0.85886   0.86036
 Alpha virt. eigenvalues --    0.86615   0.86900   0.87680   0.88174   0.89143
 Alpha virt. eigenvalues --    0.90141   0.90423   0.90762   0.91469   0.92472
 Alpha virt. eigenvalues --    0.92545   0.93788   0.94160   0.94559   0.95509
 Alpha virt. eigenvalues --    0.95702   0.96248   0.97006   0.98793   1.00164
 Alpha virt. eigenvalues --    1.01029   1.01432   1.01992   1.02564   1.02744
 Alpha virt. eigenvalues --    1.03811   1.04776   1.06718   1.07197   1.07510
 Alpha virt. eigenvalues --    1.08431   1.09283   1.09700   1.11293   1.12422
 Alpha virt. eigenvalues --    1.12608   1.13759   1.14193   1.15451   1.16152
 Alpha virt. eigenvalues --    1.16372   1.17230   1.17795   1.18759   1.20638
 Alpha virt. eigenvalues --    1.20901   1.22669   1.23253   1.23764   1.24883
 Alpha virt. eigenvalues --    1.25549   1.25690   1.26411   1.28350   1.28821
 Alpha virt. eigenvalues --    1.30354   1.32123   1.32735   1.35902   1.36900
 Alpha virt. eigenvalues --    1.38475   1.38972   1.39532   1.40508   1.43221
 Alpha virt. eigenvalues --    1.43340   1.44773   1.44954   1.46331   1.47039
 Alpha virt. eigenvalues --    1.48119   1.49067   1.49315   1.51095   1.51618
 Alpha virt. eigenvalues --    1.53689   1.54562   1.54848   1.55677   1.56336
 Alpha virt. eigenvalues --    1.57143   1.57719   1.57951   1.59093   1.61192
 Alpha virt. eigenvalues --    1.62529   1.62988   1.64097   1.64370   1.64721
 Alpha virt. eigenvalues --    1.65643   1.66890   1.67468   1.68537   1.69245
 Alpha virt. eigenvalues --    1.69583   1.71536   1.72454   1.73374   1.74495
 Alpha virt. eigenvalues --    1.75166   1.76528   1.76979   1.77974   1.78140
 Alpha virt. eigenvalues --    1.79184   1.79824   1.80701   1.81568   1.82033
 Alpha virt. eigenvalues --    1.82761   1.83821   1.85547   1.85635   1.87243
 Alpha virt. eigenvalues --    1.87956   1.88882   1.89584   1.90287   1.91003
 Alpha virt. eigenvalues --    1.91280   1.91741   1.94056   1.94488   1.94902
 Alpha virt. eigenvalues --    1.96371   1.97127   1.97336   1.98223   1.98448
 Alpha virt. eigenvalues --    1.98978   1.99826   2.00339   2.00957   2.01281
 Alpha virt. eigenvalues --    2.02543   2.03919   2.04778   2.05203   2.06428
 Alpha virt. eigenvalues --    2.07598   2.08533   2.08856   2.10161   2.10920
 Alpha virt. eigenvalues --    2.12059   2.13131   2.13665   2.14344   2.15019
 Alpha virt. eigenvalues --    2.16874   2.17647   2.17883   2.19526   2.20142
 Alpha virt. eigenvalues --    2.21111   2.21444   2.22893   2.23248   2.23663
 Alpha virt. eigenvalues --    2.24484   2.26039   2.26519   2.27185   2.28573
 Alpha virt. eigenvalues --    2.28758   2.30796   2.31561   2.32963   2.34494
 Alpha virt. eigenvalues --    2.36178   2.36399   2.36916   2.37140   2.37643
 Alpha virt. eigenvalues --    2.37899   2.38802   2.39457   2.40309   2.43349
 Alpha virt. eigenvalues --    2.43732   2.45576   2.47550   2.50756   2.52155
 Alpha virt. eigenvalues --    2.52553   2.54658   2.55310   2.55866   2.58165
 Alpha virt. eigenvalues --    2.58308   2.59056   2.60951   2.61250   2.63847
 Alpha virt. eigenvalues --    2.65802   2.67331   2.68222   2.69119   2.72363
 Alpha virt. eigenvalues --    2.73168   2.75237   2.76051   2.78187   2.79298
 Alpha virt. eigenvalues --    2.81496   2.84175   2.85447   2.87756   2.88326
 Alpha virt. eigenvalues --    2.91024   2.92234   2.94690   2.96421   2.99314
 Alpha virt. eigenvalues --    3.00002   3.08890   3.11426   3.13832   3.14675
 Alpha virt. eigenvalues --    3.23133   3.26449   3.27274   3.38379   3.43547
 Alpha virt. eigenvalues --    3.45391   3.50127   3.50459   3.52142   3.54806
 Alpha virt. eigenvalues --    3.56625   3.59862   3.67083   3.69724   3.73061
 Alpha virt. eigenvalues --    3.77963   3.86593   3.92667   4.06464   4.81439
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   38.039601  -9.961350  -6.513652  -2.677445   2.262434 -12.208837
     2  C   -9.961350  29.317523  -1.503532  -4.113567  -4.488075  -4.141712
     3  C   -6.513652  -1.503532  39.112360  -8.497741 -13.675333   1.694076
     4  C   -2.677445  -4.113567  -8.497741  33.083072  -5.196274  -4.405206
     5  C    2.262434  -4.488075 -13.675333  -5.196274  29.774770  -0.872134
     6  C  -12.208837  -4.141712   1.694076  -4.405206  -0.872134  27.828795
     7  C   -0.462959  -2.804685  -0.328287  -0.464471  -1.073412   0.365017
     8  C   -0.138669   0.368204   0.205726  -0.083394   0.330925  -0.030206
     9  C   -0.330264  -0.479708   0.041511   0.018105  -0.160927   0.340877
    10  C    0.194279  -0.027142  -0.205837   0.022190  -0.029067  -0.338289
    11  C    0.316025   0.033847  -0.162863  -6.680159   0.586962  -0.694771
    12  C   -0.086421   0.077992  -1.240798   1.513652  -0.319501  -0.221543
    13  O   -0.038986  -0.001553   0.222276  -0.202455  -0.032205   0.009254
    14  O   -0.033048   0.010340   0.111973  -0.130717  -0.018088   0.023867
    15  H   -4.370664   3.030651   0.458797  -0.921805  -0.338531   1.210918
    16  H    0.899318  -0.687215  -4.623985   2.260525   1.033066  -0.342855
    17  H   -0.543648   0.209581   0.718981   1.195779  -2.833395   0.519468
    18  H    0.558759   1.093417  -0.453813   0.384519   0.514822  -2.760797
    19  H    0.908838  -0.272770   0.535004   0.150186  -0.397998  -0.591068
    20  H   -0.667752  -0.145458  -0.248586   0.010408   0.631626   0.564869
    21  H   -0.014581  -0.027887   0.006479   0.009678   0.021651   0.047854
    22  H    0.053730  -0.056364  -0.006637  -0.011570   0.007737  -0.076847
    23  H    0.045561   0.132050  -0.002506   0.003030   0.079112   0.019821
    24  H   -0.167457   0.107716   0.069712   0.064329  -0.194096   0.179460
    25  H    0.230672   0.088149  -0.185218   0.071543   0.033142  -0.185985
    26  H    0.058803   0.079588   0.117109   0.024848  -0.004780   0.020643
    27  H   -0.107244  -0.033346   0.010099  -0.028027   0.004940   0.044908
    28  H   -0.091689  -0.015868  -0.167432   0.886599  -0.081048   0.035560
    29  C    0.002460  -0.106594  -0.501392  -0.494425   0.298420  -0.212283
    30  H    0.002926  -0.000400  -0.028307   0.050277  -0.008279  -0.005844
    31  H    0.005074   0.044675   0.146361   0.921215  -0.292894  -0.019780
    32  H   -0.030096  -0.021422   0.141131  -0.784182   0.170023   0.027318
    33  H   -0.034521  -0.054454  -0.324917  -0.001260   0.176798  -0.020414
               7          8          9         10         11         12
     1  C   -0.462959  -0.138669  -0.330264   0.194279   0.316025  -0.086421
     2  C   -2.804685   0.368204  -0.479708  -0.027142   0.033847   0.077992
     3  C   -0.328287   0.205726   0.041511  -0.205837  -0.162863  -1.240798
     4  C   -0.464471  -0.083394   0.018105   0.022190  -6.680159   1.513652
     5  C   -1.073412   0.330925  -0.160927  -0.029067   0.586962  -0.319501
     6  C    0.365017  -0.030206   0.340877  -0.338289  -0.694771  -0.221543
     7  C   12.410480  -1.132102   0.408383   0.157071  -0.355449  -0.003913
     8  C   -1.132102   9.657511  -0.820466  -0.755177   0.036096  -0.002557
     9  C    0.408383  -0.820466   5.644982  -0.272938  -0.046820   0.005951
    10  C    0.157071  -0.755177  -0.272938   5.570390   0.004972  -0.004661
    11  C   -0.355449   0.036096  -0.046820   0.004972  17.305489  -3.395314
    12  C   -0.003913  -0.002557   0.005951  -0.004661  -3.395314   8.545364
    13  O   -0.002633   0.000435  -0.000069  -0.000209   0.040958   0.522163
    14  O   -0.000776   0.000674  -0.000152   0.000131   0.101728   0.096975
    15  H   -0.239456  -0.000243   0.011993   0.015099  -0.016244   0.014613
    16  H    0.173323  -0.016876   0.005222   0.017516   0.011141   0.087689
    17  H    0.172727  -0.022206   0.022728   0.000415  -0.118495  -0.020736
    18  H   -0.472840   0.026756  -0.058327   0.028272   0.150132  -0.000657
    19  H   -0.733822   0.087765  -0.000790  -0.004486  -0.002976  -0.002922
    20  H   -0.562502   0.114926   0.012897   0.007997  -0.007349   0.001837
    21  H    0.082769  -1.561942   0.202137   0.214440   0.002444  -0.000262
    22  H    0.140894  -0.002858   0.061276   0.153686  -0.004643   0.001387
    23  H   -0.322285   0.459426  -0.318773   0.012530   0.004056   0.000170
    24  H   -0.186896  -0.186552   0.640169  -0.290999  -0.000996  -0.001811
    25  H   -0.211122  -0.185651  -0.293692   0.657658   0.009270  -0.002165
    26  H   -0.311030   0.451779   0.010517  -0.342012  -0.002196   0.002195
    27  H    0.140420  -0.008066   0.170812   0.061723   0.001245  -0.000877
    28  H   -0.010248   0.001679  -0.001586  -0.000056  -1.782933   0.246309
    29  C   -0.069876   0.001760  -0.002635  -0.002998   0.120136   0.230625
    30  H    0.000166   0.000087  -0.000061  -0.000098   0.029506  -0.097832
    31  H    0.003148  -0.000154   0.000071  -0.000084  -0.496647   0.043144
    32  H   -0.014721   0.000640  -0.000505  -0.000319   0.711097  -0.137026
    33  H   -0.012057   0.000176  -0.000466  -0.000344  -0.359208   0.098433
              13         14         15         16         17         18
     1  C   -0.038986  -0.033048  -4.370664   0.899318  -0.543648   0.558759
     2  C   -0.001553   0.010340   3.030651  -0.687215   0.209581   1.093417
     3  C    0.222276   0.111973   0.458797  -4.623985   0.718981  -0.453813
     4  C   -0.202455  -0.130717  -0.921805   2.260525   1.195779   0.384519
     5  C   -0.032205  -0.018088  -0.338531   1.033066  -2.833395   0.514822
     6  C    0.009254   0.023867   1.210918  -0.342855   0.519468  -2.760797
     7  C   -0.002633  -0.000776  -0.239456   0.173323   0.172727  -0.472840
     8  C    0.000435   0.000674  -0.000243  -0.016876  -0.022206   0.026756
     9  C   -0.000069  -0.000152   0.011993   0.005222   0.022728  -0.058327
    10  C   -0.000209   0.000131   0.015099   0.017516   0.000415   0.028272
    11  C    0.040958   0.101728  -0.016244   0.011141  -0.118495   0.150132
    12  C    0.522163   0.096975   0.014613   0.087689  -0.020736  -0.000657
    13  O    7.740762  -0.014895  -0.001268  -0.050379   0.002295   0.000135
    14  O   -0.014895   7.939772  -0.001817  -0.005465   0.011401   0.000156
    15  H   -0.001268  -0.001817   3.510650  -0.336167  -0.025717   0.020552
    16  H   -0.050379  -0.005465  -0.336167   3.682171   0.008436  -0.023846
    17  H    0.002295   0.011401  -0.025717   0.008436   2.903173  -0.287225
    18  H    0.000135   0.000156   0.020552  -0.023846  -0.287225   3.190878
    19  H   -0.000030   0.000040  -0.055920  -0.000924  -0.002943   0.025394
    20  H   -0.000085  -0.000157   0.016726   0.001126   0.012112  -0.062097
    21  H    0.000016   0.000026   0.014368  -0.001515  -0.002523   0.018373
    22  H   -0.000022  -0.000082   0.002263  -0.000771   0.000932   0.009844
    23  H   -0.000011   0.000055  -0.006068   0.001059   0.003010  -0.022175
    24  H    0.000052   0.000317   0.011743  -0.000100  -0.003316  -0.030493
    25  H   -0.000160  -0.000641  -0.030355  -0.004040  -0.001619   0.014218
    26  H   -0.000001   0.000028  -0.007771  -0.001159   0.000933  -0.004315
    27  H   -0.000024   0.000059   0.009096   0.001648  -0.000700   0.001678
    28  H    0.006788  -0.055605   0.003208  -0.025811  -0.142106   0.004843
    29  C   -0.009630  -0.020039   0.007440  -0.014378  -0.003304   0.005380
    30  H   -0.034520   0.291885  -0.000001  -0.000097  -0.000001  -0.000166
    31  H   -0.009652   0.003609  -0.000541   0.011959  -0.001124   0.001507
    32  H    0.022044   0.007946  -0.002971   0.014600  -0.006521   0.001240
    33  H    0.009468  -0.015086  -0.001933  -0.082007   0.008599  -0.002017
              19         20         21         22         23         24
     1  C    0.908838  -0.667752  -0.014581   0.053730   0.045561  -0.167457
     2  C   -0.272770  -0.145458  -0.027887  -0.056364   0.132050   0.107716
     3  C    0.535004  -0.248586   0.006479  -0.006637  -0.002506   0.069712
     4  C    0.150186   0.010408   0.009678  -0.011570   0.003030   0.064329
     5  C   -0.397998   0.631626   0.021651   0.007737   0.079112  -0.194096
     6  C   -0.591068   0.564869   0.047854  -0.076847   0.019821   0.179460
     7  C   -0.733822  -0.562502   0.082769   0.140894  -0.322285  -0.186896
     8  C    0.087765   0.114926  -1.561942  -0.002858   0.459426  -0.186552
     9  C   -0.000790   0.012897   0.202137   0.061276  -0.318773   0.640169
    10  C   -0.004486   0.007997   0.214440   0.153686   0.012530  -0.290999
    11  C   -0.002976  -0.007349   0.002444  -0.004643   0.004056  -0.000996
    12  C   -0.002922   0.001837  -0.000262   0.001387   0.000170  -0.001811
    13  O   -0.000030  -0.000085   0.000016  -0.000022  -0.000011   0.000052
    14  O    0.000040  -0.000157   0.000026  -0.000082   0.000055   0.000317
    15  H   -0.055920   0.016726   0.014368   0.002263  -0.006068   0.011743
    16  H   -0.000924   0.001126  -0.001515  -0.000771   0.001059  -0.000100
    17  H   -0.002943   0.012112  -0.002523   0.000932   0.003010  -0.003316
    18  H    0.025394  -0.062097   0.018373   0.009844  -0.022175  -0.030493
    19  H    2.617719  -0.861143   0.006692  -0.017275   0.026006   0.022483
    20  H   -0.861143   2.576259   0.000975   0.027980  -0.030151  -0.027719
    21  H    0.006692   0.000975   2.508605  -0.058869  -0.095643   0.125177
    22  H   -0.017275   0.027980  -0.058869   2.221006  -0.582207  -0.613732
    23  H    0.026006  -0.030151  -0.095643  -0.582207   2.161116  -0.363192
    24  H    0.022483  -0.027719   0.125177  -0.613732  -0.363192   2.108147
    25  H   -0.026660   0.023452   0.126667   0.012395   0.002265  -0.065376
    26  H   -0.038478   0.028529  -0.093241   0.036971  -0.018030   0.003225
    27  H    0.030083  -0.017746  -0.060705  -0.067884   0.038988   0.009267
    28  H    0.000481  -0.001363   0.000206   0.000007  -0.000340   0.000392
    29  C   -0.001945  -0.002353   0.000127  -0.000347   0.000767   0.000074
    30  H   -0.000040   0.000082  -0.000014  -0.000001   0.000024  -0.000274
    31  H    0.000208   0.000050   0.000008   0.000007   0.000019  -0.000039
    32  H   -0.000722  -0.000015   0.000050  -0.000073   0.000112   0.000213
    33  H   -0.000070  -0.000213  -0.000066  -0.000017   0.000127  -0.000212
              25         26         27         28         29         30
     1  C    0.230672   0.058803  -0.107244  -0.091689   0.002460   0.002926
     2  C    0.088149   0.079588  -0.033346  -0.015868  -0.106594  -0.000400
     3  C   -0.185218   0.117109   0.010099  -0.167432  -0.501392  -0.028307
     4  C    0.071543   0.024848  -0.028027   0.886599  -0.494425   0.050277
     5  C    0.033142  -0.004780   0.004940  -0.081048   0.298420  -0.008279
     6  C   -0.185985   0.020643   0.044908   0.035560  -0.212283  -0.005844
     7  C   -0.211122  -0.311030   0.140420  -0.010248  -0.069876   0.000166
     8  C   -0.185651   0.451779  -0.008066   0.001679   0.001760   0.000087
     9  C   -0.293692   0.010517   0.170812  -0.001586  -0.002635  -0.000061
    10  C    0.657658  -0.342012   0.061723  -0.000056  -0.002998  -0.000098
    11  C    0.009270  -0.002196   0.001245  -1.782933   0.120136   0.029506
    12  C   -0.002165   0.002195  -0.000877   0.246309   0.230625  -0.097832
    13  O   -0.000160  -0.000001  -0.000024   0.006788  -0.009630  -0.034520
    14  O   -0.000641   0.000028   0.000059  -0.055605  -0.020039   0.291885
    15  H   -0.030355  -0.007771   0.009096   0.003208   0.007440  -0.000001
    16  H   -0.004040  -0.001159   0.001648  -0.025811  -0.014378  -0.000097
    17  H   -0.001619   0.000933  -0.000700  -0.142106  -0.003304  -0.000001
    18  H    0.014218  -0.004315   0.001678   0.004843   0.005380  -0.000166
    19  H   -0.026660  -0.038478   0.030083   0.000481  -0.001945  -0.000040
    20  H    0.023452   0.028529  -0.017746  -0.001363  -0.002353   0.000082
    21  H    0.126667  -0.093241  -0.060705   0.000206   0.000127  -0.000014
    22  H    0.012395   0.036971  -0.067884   0.000007  -0.000347  -0.000001
    23  H    0.002265  -0.018030   0.038988  -0.000340   0.000767   0.000024
    24  H   -0.065376   0.003225   0.009267   0.000392   0.000074  -0.000274
    25  H    2.106377  -0.360296  -0.613489   0.000409   0.002392   0.000010
    26  H   -0.360296   2.155066  -0.578711  -0.000206   0.000383   0.000053
    27  H   -0.613489  -0.578711   2.225778   0.000116  -0.000349  -0.000038
    28  H    0.000409  -0.000206   0.000116   2.563081   0.070766   0.011559
    29  C    0.002392   0.000383  -0.000349   0.070766   5.261974   0.013360
    30  H    0.000010   0.000053  -0.000038   0.011559   0.013360   0.580169
    31  H    0.000179   0.000038  -0.000019   0.008804  -0.262988   0.000659
    32  H   -0.000330   0.000092  -0.000025  -0.019751   0.068753  -0.001033
    33  H    0.000833   0.000012  -0.000055   0.075896   0.658079   0.004061
              31         32         33
     1  C    0.005074  -0.030096  -0.034521
     2  C    0.044675  -0.021422  -0.054454
     3  C    0.146361   0.141131  -0.324917
     4  C    0.921215  -0.784182  -0.001260
     5  C   -0.292894   0.170023   0.176798
     6  C   -0.019780   0.027318  -0.020414
     7  C    0.003148  -0.014721  -0.012057
     8  C   -0.000154   0.000640   0.000176
     9  C    0.000071  -0.000505  -0.000466
    10  C   -0.000084  -0.000319  -0.000344
    11  C   -0.496647   0.711097  -0.359208
    12  C    0.043144  -0.137026   0.098433
    13  O   -0.009652   0.022044   0.009468
    14  O    0.003609   0.007946  -0.015086
    15  H   -0.000541  -0.002971  -0.001933
    16  H    0.011959   0.014600  -0.082007
    17  H   -0.001124  -0.006521   0.008599
    18  H    0.001507   0.001240  -0.002017
    19  H    0.000208  -0.000722  -0.000070
    20  H    0.000050  -0.000015  -0.000213
    21  H    0.000008   0.000050  -0.000066
    22  H    0.000007  -0.000073  -0.000017
    23  H    0.000019   0.000112   0.000127
    24  H   -0.000039   0.000213  -0.000212
    25  H    0.000179  -0.000330   0.000833
    26  H    0.000038   0.000092   0.000012
    27  H   -0.000019  -0.000025  -0.000055
    28  H    0.008804  -0.019751   0.075896
    29  C   -0.262988   0.068753   0.658079
    30  H    0.000659  -0.001033   0.004061
    31  H    1.858789  -0.394746  -0.362084
    32  H   -0.394746   1.753573  -0.359531
    33  H   -0.362084  -0.359531   1.789854
 Mulliken charges:
               1
     1  C    0.900801
     2  C    0.349371
     3  C    1.079241
     4  C    0.022745
     5  C    0.089609
     6  C    0.195864
     7  C    1.721142
     8  C   -0.797445
     9  C    1.190549
    10  C    1.156343
    11  C    0.661958
    12  C    0.050496
    13  O   -0.177859
    14  O   -0.304413
    15  H   -0.980646
    16  H   -0.991206
    17  H   -0.774990
    18  H   -0.872104
    19  H   -0.397916
    20  H   -0.397161
    21  H   -0.471493
    22  H   -0.229916
    23  H   -0.227921
    24  H   -0.209217
    25  H   -0.212831
    26  H   -0.228588
    27  H   -0.233556
    28  H   -0.520657
    29  C    0.962639
    30  H    0.192182
    31  H   -0.208772
    32  H   -0.144843
    33  H   -0.191406
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.079845
     2  C    0.349371
     3  C    0.088035
     4  C    0.022745
     5  C   -0.685380
     6  C   -0.676240
     7  C    0.926065
     8  C   -1.268938
     9  C    0.523495
    10  C    0.481368
    11  C    0.141301
    12  C    0.050496
    13  O   -0.177859
    14  O   -0.112231
    29  C    0.417618
 Electronic spatial extent (au):  <R**2>=           4245.9774
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.2354    Y=             -0.5345    Z=              1.2353  Tot=              1.8270
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -89.6097   YY=            -89.5959   ZZ=            -91.6034
   XY=              1.5597   XZ=             -6.3468   YZ=              0.7615
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.6600   YY=              0.6738   ZZ=             -1.3337
   XY=              1.5597   XZ=             -6.3468   YZ=              0.7615
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.4918  YYY=             35.3024  ZZZ=             -2.3660  XYY=            -20.2651
  XXY=             -7.0248  XXZ=             24.1925  XZZ=              1.5055  YZZ=             -3.6859
  YYZ=             15.1615  XYZ=            -12.2778
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4326.8508 YYYY=           -724.4572 ZZZZ=           -609.3352 XXXY=              3.6356
 XXXZ=           -103.5024 YYYX=            -94.1410 YYYZ=             32.3622 ZZZX=            -12.3559
 ZZZY=            -10.3318 XXYY=           -800.0341 XXZZ=           -853.8604 YYZZ=           -235.0529
 XXYZ=             47.6477 YYXZ=            -30.5771 ZZXY=             -4.6217
 N-N= 9.843576103471D+02 E-N=-3.495110984103D+03  KE= 6.520925661438D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 18:18:10 2021, MaxMem=  6442450944 cpu:               5.5 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.71324582D-01-1.77070808D-01 4.73123682D-01
 Polarizability= 1.99037106D+02-5.54040444D-01 1.30507314D+02
                 1.66351006D+00-7.44604290D+00 1.45233610D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.8953   -0.9078       -0.2576   -0.2631
 2      0.8953    0.9078        3.9314    3.9384      -35.9729  -35.9588
 3      0.2576    0.2631       28.1277   28.1231       -3.9370   -3.9384
 4     -3.9314   -3.9384        0.0000    0.0000        0.2594    0.2631
 5      7.8452    7.8357       -0.2594   -0.2631       -0.9074   -0.9078
 6      3.9370    3.9384        0.9074    0.9078       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.7233    2.7233       -0.7893   -0.7893
 2    -11.8152  -11.8152        0.0000    0.0000       -0.7893   -0.7893
 3    -11.8152  -11.8152        2.7233    2.7233       -0.0000    0.0000
 4      2.7233    2.7233       11.8152   11.8152     -107.8765 -107.8765
 5      0.7893    0.7893       84.3694   84.3694      -11.8152  -11.8152
 6     23.5071   23.5071       -0.7893   -0.7893       -2.7233   -2.7233
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1268    0.0000        4.8804    3.6310        1.4445    1.0524
 2     -3.9197   -3.6310      -15.9356  -15.7535      143.2586  143.8354
 3     -1.2059   -1.0524     -111.8834 -112.4925       16.0609   15.7535
 4     15.8325   15.7535       -0.3012    0.0000       -1.2206   -1.0524
 5    -30.9001  -31.3428        1.4043    1.0524        3.2669    3.6310
 6    -15.7502  -15.7535       -3.5217   -3.6310       -0.3808    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3865    0.0000      -88.7129  -89.8060        6.5271    5.5808
 2     91.0787   89.8060       14.7126   14.2177       -4.2723   -5.2941
 3     -3.7052   -5.5808       48.8861   48.3640      -14.3262  -14.2177
 4    -14.3873  -14.2177       -1.9904    0.0000       -6.5132   -5.5808
 5    -43.3664  -43.0699        4.9413    5.5808      -90.8177  -89.8060
 6     14.6752   14.2177       90.2792   89.8060       -0.3935    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.5055  -18.8257        1.7110    1.8173      -47.2704  -48.1500
 2    -38.5310  -38.3945      -72.5547  -71.6951      -47.4557  -48.1500
 3    -38.3459  -38.3945        1.0634    1.8173      -59.8445  -60.8069
 4     73.7876   73.5124       18.8647   19.5688       22.0526   21.3008
 5    -11.7593  -12.6569       62.4582   61.9042      -18.9769  -19.5688
 6    -83.5520  -83.2050       12.6071   12.6569      -75.0190  -73.5124
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0004    0.0003    0.0004    1.5729    3.1172    7.0147
 Low frequencies ---   24.6721   37.4950   48.0329
 Diagonal vibrational polarizability:
       44.6508982      20.9538794       8.6318248
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.6624                37.4898                48.0326
 Red. masses --      3.8552                 6.7236                 4.0746
 Frc consts  --      0.0014                 0.0056                 0.0055
 IR Inten    --      0.2284                 1.1648                 0.6317
 RamAct Fr= 1--      0.5457                 1.0757                 0.7288
  Dep-P Fr= 1--      0.7399                 0.7138                 0.7183
  Dep-U Fr= 1--      0.8505                 0.8330                 0.8360
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0004
 Beta2  Fr= 1--      0.0773                 0.1493                 0.1015
 AlphaG Fr= 1--      0.0002                 0.0042                -0.0014
 Gamma2 Fr= 1--     -0.1790                 0.1668                -0.6630
 Delta2 Fr= 1--     -0.3267                 0.4536                -0.5385
 Raman1 Fr= 1--       2.183                  4.303                  2.915
 ROA1   Fr= 1--     -27.634                 30.528                -80.876
 CID1   Fr= 1--     -12.661                  7.095                -27.744
 Raman2 Fr= 1--       0.928                  1.792                  1.219
 ROA2   Fr= 1--      -1.682                  0.374                -11.603
 CID2   Fr= 1--      -1.812                  0.209                 -9.522
 Raman3 Fr= 1--       1.856                  3.584                  2.437
 ROA3   Fr= 1--     -27.634                 30.528                -80.876
 CID3   Fr= 1--     -14.887                  8.517                -33.185
 RC180  Fr= 1--       0.701                  0.666                  0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09   0.01    -0.01  -0.08  -0.03    -0.02  -0.14  -0.07
     2   6     0.00  -0.03   0.05    -0.00  -0.04  -0.01     0.00  -0.04  -0.04
     3   6     0.02  -0.10  -0.03    -0.01  -0.10  -0.04    -0.02  -0.15  -0.06
     4   6    -0.01  -0.05  -0.03    -0.01  -0.07  -0.03     0.01  -0.04  -0.01
     5   6    -0.03   0.00   0.01    -0.01  -0.06  -0.02     0.03   0.05   0.01
     6   6    -0.02   0.01   0.05    -0.01  -0.04  -0.02     0.03   0.05   0.00
     7   6     0.01  -0.02   0.09     0.00   0.04   0.02     0.00   0.03  -0.05
     8   6    -0.03   0.03  -0.00    -0.08   0.08   0.05    -0.06   0.06  -0.01
     9   6    -0.11   0.19  -0.04    -0.12   0.05   0.06     0.06  -0.08   0.02
    10   6    -0.01  -0.06  -0.15    -0.15   0.07   0.07    -0.24   0.10   0.13
    11   6    -0.01  -0.03  -0.06    -0.00  -0.01  -0.02     0.01   0.01   0.02
    12   6     0.05   0.01   0.06     0.08   0.01  -0.01     0.08   0.03  -0.01
    13   8     0.12   0.13   0.08    -0.18  -0.02   0.09     0.25   0.06  -0.07
    14   8     0.01  -0.11   0.14     0.49   0.08  -0.11    -0.07   0.01   0.02
    15   1     0.04  -0.13   0.00    -0.00  -0.09  -0.03    -0.04  -0.21  -0.09
    16   1     0.03  -0.13  -0.06    -0.01  -0.12  -0.05    -0.04  -0.22  -0.07
    17   1    -0.05   0.04   0.01    -0.01  -0.04  -0.02     0.05   0.12   0.05
    18   1    -0.04   0.06   0.08    -0.00  -0.02  -0.01     0.04   0.12   0.02
    19   1     0.04  -0.11   0.12     0.04   0.06   0.02     0.00   0.07  -0.05
    20   1     0.01   0.04   0.18     0.04   0.05   0.02     0.05   0.03  -0.08
    21   1    -0.01   0.03   0.07    -0.06   0.15   0.06    -0.06   0.16  -0.13
    22   1    -0.14   0.23  -0.10    -0.17   0.08   0.08     0.02  -0.05   0.03
    23   1    -0.12   0.26   0.06    -0.08   0.05   0.05     0.18  -0.10  -0.08
    24   1    -0.13   0.20  -0.12    -0.14  -0.02   0.05     0.07  -0.17   0.15
    25   1    -0.02  -0.05  -0.23    -0.17   0.00   0.07    -0.24  -0.00   0.25
    26   1     0.05  -0.17  -0.12    -0.12   0.10   0.07    -0.33   0.20   0.10
    27   1    -0.03  -0.03  -0.21    -0.20   0.11   0.10    -0.28   0.13   0.14
    28   1    -0.05  -0.12  -0.09     0.00   0.00  -0.02     0.03   0.05   0.03
    29   6    -0.03   0.08  -0.17    -0.06   0.03  -0.01    -0.05   0.03   0.06
    30   1     0.06  -0.08   0.22     0.52   0.09  -0.10    -0.00   0.02  -0.00
    31   1    -0.03   0.10  -0.18    -0.06   0.10  -0.00    -0.04   0.07   0.10
    32   1    -0.06   0.06  -0.26    -0.13   0.01   0.00    -0.09   0.02   0.07
    33   1    -0.00   0.18  -0.14    -0.06   0.00  -0.01    -0.07   0.00   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --     57.6977                90.9939               114.0473
 Red. masses --      3.8981                 2.9378                 4.5564
 Frc consts  --      0.0076                 0.0143                 0.0349
 IR Inten    --      0.4863                 0.0494                 0.1132
 RamAct Fr= 1--      3.2459                 2.0890                 2.6819
  Dep-P Fr= 1--      0.7379                 0.7491                 0.7038
  Dep-U Fr= 1--      0.8492                 0.8566                 0.8261
 Alpha2 Fr= 1--      0.0007                 0.0000                 0.0022
 Beta2  Fr= 1--      0.4594                 0.2982                 0.3693
 AlphaG Fr= 1--     -0.0015                 0.0003                -0.0019
 Gamma2 Fr= 1--      0.7128                 0.3316                 0.1620
 Delta2 Fr= 1--      0.6283                 0.1743                 0.0409
 Raman1 Fr= 1--      12.984                  8.356                 10.728
 ROA1   Fr= 1--      88.537                 37.406                 16.860
 CID1   Fr= 1--       6.819                  4.477                  1.572
 Raman2 Fr= 1--       5.513                  3.579                  4.431
 ROA2   Fr= 1--      12.081                  6.563                  3.561
 CID2   Fr= 1--       2.191                  1.834                  0.804
 Raman3 Fr= 1--      11.026                  7.157                  8.863
 ROA3   Fr= 1--      88.537                 37.406                 16.860
 CID3   Fr= 1--       8.030                  5.226                  1.902
 RC180  Fr= 1--       0.698                  0.713                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.07  -0.02    -0.03  -0.08  -0.11    -0.10   0.10   0.05
     2   6    -0.01   0.05   0.04     0.00   0.02  -0.08    -0.07   0.13   0.04
     3   6    -0.01  -0.09  -0.05    -0.03  -0.10  -0.09    -0.11  -0.03   0.02
     4   6    -0.02   0.02  -0.02     0.01   0.00  -0.04    -0.10  -0.12   0.00
     5   6    -0.01   0.18   0.05     0.04   0.11  -0.01    -0.08  -0.07   0.00
     6   6    -0.01   0.20   0.08     0.04   0.11  -0.04    -0.06   0.06   0.02
     7   6    -0.01  -0.01   0.02     0.01   0.03  -0.07    -0.07   0.10  -0.00
     8   6     0.06  -0.04  -0.02     0.01  -0.02   0.08     0.06   0.02  -0.01
     9   6     0.23  -0.08  -0.00    -0.18  -0.04   0.07     0.14   0.02  -0.01
    10   6     0.00  -0.01   0.05     0.19   0.01   0.04     0.20   0.06  -0.01
    11   6    -0.03  -0.03  -0.07     0.02   0.00   0.02    -0.10  -0.09   0.01
    12   6    -0.07  -0.03   0.01    -0.00  -0.01   0.03     0.06  -0.05  -0.02
    13   8    -0.17   0.00   0.07    -0.01  -0.01   0.03     0.18  -0.01  -0.06
    14   8     0.03  -0.06   0.03    -0.02  -0.01   0.04     0.12  -0.06  -0.03
    15   1    -0.00  -0.17  -0.05    -0.05  -0.15  -0.14    -0.11   0.16   0.06
    16   1    -0.01  -0.20  -0.11    -0.06  -0.18  -0.10    -0.13  -0.05   0.03
    17   1    -0.02   0.28   0.08     0.07   0.19   0.02    -0.07  -0.12  -0.01
    18   1    -0.01   0.30   0.13     0.06   0.19  -0.02    -0.05   0.08   0.02
    19   1    -0.04  -0.04   0.02     0.03   0.12  -0.09    -0.13   0.11  -0.01
    20   1    -0.04  -0.02   0.03    -0.02  -0.03  -0.14    -0.11   0.06  -0.04
    21   1     0.03  -0.06  -0.14     0.03  -0.07   0.22     0.03  -0.11  -0.03
    22   1     0.28  -0.10  -0.05    -0.12  -0.11   0.17     0.24  -0.05  -0.02
    23   1     0.28  -0.10  -0.06    -0.36  -0.07   0.10     0.06  -0.01  -0.02
    24   1     0.27  -0.06   0.12    -0.19   0.07  -0.08     0.17   0.13   0.02
    25   1     0.03   0.00   0.16     0.15   0.01  -0.15     0.22   0.17  -0.02
    26   1    -0.12   0.01   0.03     0.38   0.03   0.05     0.18   0.05  -0.01
    27   1     0.04  -0.03   0.00     0.15  -0.01   0.18     0.28  -0.01  -0.01
    28   1    -0.06  -0.10  -0.09     0.07   0.02   0.04    -0.11  -0.06   0.01
    29   6     0.02   0.01  -0.15    -0.03  -0.02   0.08    -0.18  -0.04   0.03
    30   1    -0.00  -0.06   0.08    -0.03  -0.01   0.04     0.27  -0.02  -0.06
    31   1     0.01  -0.04  -0.17    -0.02  -0.02   0.15    -0.18   0.06   0.03
    32   1     0.04   0.00  -0.21    -0.01  -0.01   0.08    -0.28  -0.07   0.05
    33   1     0.03   0.08  -0.13    -0.10  -0.03   0.07    -0.17  -0.08   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    156.4530               200.6287               223.8801
 Red. masses --      3.7913                 2.9721                 1.0878
 Frc consts  --      0.0547                 0.0705                 0.0321
 IR Inten    --      0.0817                 0.5088                 0.2947
 RamAct Fr= 1--      0.8385                 0.2989                 0.0445
  Dep-P Fr= 1--      0.1323                 0.2102                 0.5136
  Dep-U Fr= 1--      0.2336                 0.3474                 0.6787
 Alpha2 Fr= 1--      0.0136                 0.0040                 0.0002
 Beta2  Fr= 1--      0.0326                 0.0173                 0.0050
 AlphaG Fr= 1--      0.0009                -0.0031                -0.0008
 Gamma2 Fr= 1--     -0.1565                 0.5437                 0.0911
 Delta2 Fr= 1--     -0.1405                 0.2888                 0.0346
 Raman1 Fr= 1--       3.354                  1.196                  0.178
 ROA1   Fr= 1--     -19.522                 61.434                  9.851
 CID1   Fr= 1--      -5.821                 51.380                 55.366
 Raman2 Fr= 1--       0.392                  0.208                  0.060
 ROA2   Fr= 1--      -2.633                 10.738                  1.909
 CID2   Fr= 1--      -6.721                 51.703                 31.624
 Raman3 Fr= 1--       0.784                  0.415                  0.121
 ROA3   Fr= 1--     -19.522                 61.434                  9.851
 CID3   Fr= 1--     -24.914                147.898                 81.580
 RC180  Fr= 1--      -0.533                 -0.305                  0.357
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.06   0.05    -0.03  -0.11   0.04     0.01   0.02  -0.01
     2   6    -0.05   0.03   0.00     0.01  -0.05   0.02     0.00   0.01  -0.01
     3   6    -0.05   0.08   0.11    -0.02  -0.13   0.08     0.01   0.02  -0.01
     4   6     0.00   0.05   0.12     0.00  -0.07   0.10     0.00   0.01  -0.02
     5   6     0.03   0.11   0.12     0.03  -0.10   0.07     0.00   0.02  -0.01
     6   6     0.02   0.09   0.06     0.04  -0.09   0.03     0.00   0.02  -0.01
     7   6    -0.08  -0.02  -0.10     0.01   0.06  -0.08     0.00  -0.01   0.01
     8   6    -0.08  -0.04  -0.04     0.02   0.05  -0.04    -0.00  -0.01   0.01
     9   6    -0.15  -0.10  -0.04     0.02  -0.00  -0.03    -0.01  -0.01   0.00
    10   6    -0.05  -0.01  -0.01     0.09   0.11   0.00    -0.02  -0.02  -0.00
    11   6    -0.01  -0.05   0.02    -0.01   0.02   0.03     0.00   0.00  -0.01
    12   6     0.04  -0.04  -0.01    -0.02   0.03   0.01     0.00  -0.00  -0.00
    13   8     0.12  -0.03  -0.03    -0.06  -0.03  -0.00    -0.00   0.02   0.01
    14   8     0.10  -0.03  -0.02    -0.07   0.09  -0.03     0.00  -0.03   0.02
    15   1    -0.11   0.05   0.03    -0.07  -0.12   0.02     0.01   0.03  -0.00
    16   1    -0.09   0.07   0.14    -0.04  -0.15   0.08     0.01   0.02  -0.01
    17   1     0.06   0.13   0.14     0.07  -0.11   0.08     0.00   0.02  -0.01
    18   1     0.05   0.10   0.03     0.06  -0.08   0.01     0.00   0.03  -0.00
    19   1    -0.15   0.06  -0.13    -0.06   0.14  -0.11     0.01  -0.02   0.01
    20   1    -0.06  -0.06  -0.18     0.10   0.04  -0.17    -0.01  -0.01   0.02
    21   1    -0.07  -0.03  -0.01     0.02   0.03  -0.03     0.00  -0.00   0.01
    22   1    -0.10  -0.16   0.04     0.10  -0.08   0.03    -0.04   0.02  -0.00
    23   1    -0.25  -0.15  -0.05    -0.09  -0.06  -0.06     0.02   0.01   0.01
    24   1    -0.15  -0.04  -0.09     0.04   0.09  -0.05    -0.02  -0.03   0.00
    25   1    -0.06  -0.04  -0.06     0.06   0.07  -0.10    -0.01  -0.02   0.02
    26   1     0.02   0.03  -0.02     0.23   0.19  -0.00    -0.04  -0.03  -0.00
    27   1    -0.08  -0.01   0.06     0.05   0.10   0.15    -0.01  -0.02  -0.03
    28   1    -0.12  -0.09  -0.01    -0.12  -0.01   0.00     0.01   0.01  -0.01
    29   6     0.18  -0.05  -0.14     0.01   0.14  -0.12    -0.00  -0.02   0.02
    30   1     0.19  -0.01  -0.05    -0.15   0.06  -0.07     0.00  -0.02   0.04
    31   1     0.15  -0.15  -0.30    -0.02   0.35  -0.38    -0.05   0.38  -0.35
    32   1     0.24  -0.03  -0.15    -0.22   0.08  -0.02    -0.38  -0.08   0.46
    33   1     0.32   0.02  -0.10     0.31   0.08  -0.09     0.42  -0.41  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    247.8006               257.0280               269.1202
 Red. masses --      1.0980                 2.7068                 1.1202
 Frc consts  --      0.0397                 0.1054                 0.0478
 IR Inten    --      0.0684                 0.8410                 0.8045
 RamAct Fr= 1--      0.3479                 1.5249                 0.7145
  Dep-P Fr= 1--      0.6988                 0.6777                 0.0749
  Dep-U Fr= 1--      0.8227                 0.8079                 0.1394
 Alpha2 Fr= 1--      0.0003                 0.0019                 0.0133
 Beta2  Fr= 1--      0.0477                 0.2053                 0.0166
 AlphaG Fr= 1--     -0.0065                -0.0029                 0.0025
 Gamma2 Fr= 1--     -0.2980                -0.0771                 0.0874
 Delta2 Fr= 1--     -0.0395                 0.2269                -0.0315
 Raman1 Fr= 1--       1.392                  6.100                  2.858
 ROA1   Fr= 1--     -29.875                 -0.144                  7.380
 CID1   Fr= 1--     -21.466                 -0.024                  2.582
 Raman2 Fr= 1--       0.572                  2.464                  0.199
 ROA2   Fr= 1--      -6.837                 -3.666                  2.350
 CID2   Fr= 1--     -11.942                 -1.488                 11.795
 Raman3 Fr= 1--       1.145                  4.928                  0.398
 ROA3   Fr= 1--     -29.875                 -0.144                  7.380
 CID3   Fr= 1--     -26.092                 -0.029                 18.522
 RC180  Fr= 1--       0.645                  0.616                 -0.721
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.02    -0.06  -0.09  -0.05    -0.01  -0.01   0.00
     2   6     0.01  -0.00   0.02    -0.06  -0.05  -0.02    -0.01  -0.00   0.01
     3   6     0.02   0.02  -0.00    -0.05  -0.04  -0.03    -0.01  -0.01   0.00
     4   6     0.00   0.00  -0.02    -0.03   0.04   0.00    -0.02   0.01   0.01
     5   6    -0.01   0.00  -0.01    -0.05  -0.04  -0.02    -0.02  -0.00   0.00
     6   6    -0.00   0.00   0.02    -0.06  -0.09  -0.03    -0.02  -0.01   0.00
     7   6     0.01  -0.01   0.01    -0.05   0.02   0.02    -0.00   0.01  -0.00
     8   6     0.00   0.00  -0.01    -0.02   0.02   0.02     0.01   0.01  -0.00
     9   6     0.03  -0.00  -0.01     0.06   0.07   0.01     0.02  -0.01   0.00
    10   6    -0.04  -0.01  -0.01     0.05   0.05   0.03     0.03   0.01  -0.02
    11   6     0.00   0.00  -0.02    -0.01   0.05  -0.01    -0.02   0.01  -0.01
    12   6    -0.00   0.00  -0.01    -0.02   0.05  -0.02    -0.01   0.01  -0.01
    13   8    -0.00   0.02  -0.00     0.00   0.13   0.01    -0.00   0.04  -0.00
    14   8     0.00  -0.02   0.00     0.02   0.00   0.02     0.01  -0.01   0.00
    15   1     0.04   0.01   0.02    -0.06  -0.13  -0.06    -0.01  -0.02   0.00
    16   1     0.03   0.03  -0.01    -0.06  -0.05  -0.03    -0.01  -0.01  -0.00
    17   1    -0.02  -0.00  -0.02    -0.07  -0.04  -0.02    -0.02  -0.00   0.00
    18   1    -0.02   0.00   0.03    -0.06  -0.11  -0.05    -0.02  -0.02   0.00
    19   1    -0.01  -0.02   0.01    -0.02   0.02   0.03    -0.01   0.01  -0.00
    20   1     0.02   0.00   0.01    -0.04   0.03   0.03     0.00   0.01  -0.01
    21   1    -0.00   0.02  -0.03    -0.04  -0.04  -0.01     0.01   0.01  -0.00
    22   1     0.33  -0.25   0.05     0.27  -0.07  -0.02    -0.29   0.24  -0.07
    23   1    -0.33  -0.13  -0.02    -0.13   0.02   0.03     0.42   0.11  -0.03
    24   1     0.11   0.37  -0.06     0.13   0.32   0.02    -0.05  -0.42   0.10
    25   1    -0.17  -0.29  -0.28     0.11   0.20   0.13    -0.08  -0.20  -0.32
    26   1     0.33   0.13   0.00    -0.08   0.02   0.02     0.41   0.11  -0.00
    27   1    -0.33   0.13   0.28     0.20  -0.03  -0.05    -0.21   0.11   0.25
    28   1     0.01   0.01  -0.01    -0.02   0.09   0.00    -0.02   0.02  -0.00
    29   6    -0.02  -0.01   0.02     0.19  -0.14   0.03     0.03  -0.04   0.01
    30   1     0.01  -0.01   0.02     0.07   0.03   0.06     0.03   0.00   0.02
    31   1    -0.01  -0.01   0.04     0.16  -0.32  -0.08     0.02  -0.09  -0.00
    32   1    -0.02  -0.01   0.04     0.36  -0.06   0.19     0.08  -0.02   0.04
    33   1    -0.04  -0.04   0.01     0.26  -0.26   0.01     0.03  -0.07   0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    281.9356               342.7546               352.7862
 Red. masses --      3.3470                 3.7261                 3.4106
 Frc consts  --      0.1567                 0.2579                 0.2501
 IR Inten    --      0.4993                 0.8138                 0.7419
 RamAct Fr= 1--      0.4082                 1.1933                 2.9001
  Dep-P Fr= 1--      0.5364                 0.4184                 0.4538
  Dep-U Fr= 1--      0.6983                 0.5900                 0.6243
 Alpha2 Fr= 1--      0.0017                 0.0083                 0.0175
 Beta2  Fr= 1--      0.0475                 0.1173                 0.3018
 AlphaG Fr= 1--      0.0019                 0.0112                -0.0017
 Gamma2 Fr= 1--      0.0980                -0.4130                 0.5046
 Delta2 Fr= 1--      0.1947                -0.7866                 0.2304
 Raman1 Fr= 1--       1.633                  4.773                 11.600
 ROA1   Fr= 1--      15.637                -64.820                 55.812
 CID1   Fr= 1--       9.577                -13.581                  4.811
 Raman2 Fr= 1--       0.570                  1.408                  3.621
 ROA2   Fr= 1--       0.795                 -3.619                 10.266
 CID2   Fr= 1--       1.394                 -2.571                  2.835
 Raman3 Fr= 1--       1.140                  2.816                  7.242
 ROA3   Fr= 1--      15.637                -64.820                 55.812
 CID3   Fr= 1--      13.715                -23.018                  7.707
 RC180  Fr= 1--       0.397                  0.180                  0.249
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.02   0.11    -0.04   0.07   0.01     0.02   0.06   0.02
     2   6     0.05  -0.04   0.13     0.05   0.11  -0.05    -0.01   0.17   0.09
     3   6     0.09  -0.01   0.02    -0.04  -0.09   0.09    -0.00  -0.11  -0.10
     4   6     0.01  -0.01  -0.02     0.00  -0.12   0.10     0.00  -0.09  -0.09
     5   6    -0.03   0.01   0.04     0.10  -0.09   0.05    -0.05  -0.11  -0.07
     6   6    -0.00  -0.01   0.12     0.11   0.05  -0.03    -0.03   0.06   0.04
     7   6     0.03   0.01  -0.05     0.06   0.06  -0.07    -0.03   0.08   0.08
     8   6     0.00   0.03  -0.11     0.06  -0.01   0.08    -0.00   0.06  -0.02
     9   6    -0.11  -0.12  -0.10     0.01   0.01   0.09    -0.04  -0.16   0.03
    10   6     0.04   0.13  -0.02    -0.08  -0.16  -0.04    -0.03  -0.02  -0.13
    11   6    -0.01   0.02  -0.09    -0.03   0.01  -0.04     0.05   0.01   0.02
    12   6    -0.02   0.03  -0.08    -0.02   0.06  -0.10     0.04   0.03   0.06
    13   8    -0.05   0.14  -0.02    -0.07   0.19  -0.03     0.01  -0.03   0.05
    14   8     0.00  -0.09  -0.00    -0.02  -0.04  -0.03    -0.03   0.12   0.02
    15   1     0.16  -0.03   0.14    -0.14   0.13  -0.01     0.07   0.06   0.04
    16   1     0.14  -0.01  -0.02    -0.10  -0.13   0.12    -0.00  -0.19  -0.14
    17   1    -0.08   0.04   0.02     0.20  -0.14   0.08    -0.11  -0.17  -0.12
    18   1    -0.06  -0.00   0.17     0.18   0.07  -0.08    -0.05   0.06   0.05
    19   1    -0.13   0.02  -0.08     0.04   0.25  -0.11    -0.07  -0.04   0.10
    20   1     0.16   0.03  -0.11    -0.00  -0.07  -0.23    -0.07   0.12   0.16
    21   1     0.01   0.06  -0.10     0.08   0.03   0.11    -0.00   0.06  -0.02
    22   1    -0.16  -0.13   0.08     0.03  -0.01   0.09    -0.03  -0.24   0.26
    23   1    -0.15  -0.19  -0.18    -0.03   0.01   0.11    -0.08  -0.32  -0.17
    24   1    -0.14  -0.19  -0.16     0.01   0.04   0.05    -0.05  -0.22   0.05
    25   1     0.12   0.29   0.15    -0.09  -0.24   0.00    -0.04  -0.02  -0.18
    26   1    -0.14   0.17  -0.04    -0.17  -0.36  -0.01    -0.02  -0.18  -0.09
    27   1     0.22   0.01  -0.06    -0.15  -0.04  -0.27    -0.05   0.03  -0.26
    28   1    -0.00   0.10  -0.07    -0.14   0.11  -0.04     0.10  -0.02   0.03
    29   6    -0.07  -0.07   0.06    -0.02  -0.06   0.00     0.12  -0.01   0.00
    30   1     0.01  -0.06   0.11    -0.05  -0.02   0.06    -0.12   0.07  -0.07
    31   1    -0.04  -0.10   0.20    -0.01  -0.14   0.08     0.10  -0.08  -0.07
    32   1    -0.01  -0.05   0.10     0.06  -0.03  -0.00     0.18   0.02   0.03
    33   1    -0.22  -0.16   0.02    -0.11  -0.07  -0.01     0.18  -0.01   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    389.8100               406.7442               420.3844
 Red. masses --      2.5216                 1.9381                 3.3094
 Frc consts  --      0.2258                 0.1889                 0.3446
 IR Inten    --      1.4281                 0.0486                 1.1967
 RamAct Fr= 1--      1.5500                 0.9949                 2.1465
  Dep-P Fr= 1--      0.4365                 0.1343                 0.1222
  Dep-U Fr= 1--      0.6078                 0.2368                 0.2177
 Alpha2 Fr= 1--      0.0100                 0.0160                 0.0356
 Beta2  Fr= 1--      0.1570                 0.0393                 0.0779
 AlphaG Fr= 1--     -0.0032                -0.0138                 0.0731
 Gamma2 Fr= 1--      0.0328                -0.0588                 1.7579
 Delta2 Fr= 1--     -0.1598                -0.0258                 0.3528
 Raman1 Fr= 1--       6.200                  3.980                  8.586
 ROA1   Fr= 1--      -1.963                 -6.471                180.044
 CID1   Fr= 1--      -0.317                 -1.626                 20.969
 Raman2 Fr= 1--       1.884                  0.471                  0.935
 ROA2   Fr= 1--       2.066                 -1.205                 39.366
 CID2   Fr= 1--       1.096                 -2.558                 42.112
 Raman3 Fr= 1--       3.768                  0.942                  1.870
 ROA3   Fr= 1--      -1.963                 -6.471                180.044
 CID3   Fr= 1--      -0.521                 -6.867                 96.301
 RC180  Fr= 1--       0.216                 -0.526                 -0.565
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.02    -0.02   0.05  -0.03     0.00   0.18   0.04
     2   6     0.00   0.08   0.03     0.03   0.01  -0.08    -0.07   0.02   0.02
     3   6    -0.01  -0.07  -0.03    -0.03  -0.05   0.04    -0.02  -0.16  -0.08
     4   6    -0.00  -0.10  -0.04    -0.02  -0.01   0.06     0.07  -0.02  -0.00
     5   6    -0.00  -0.06  -0.02     0.05   0.04   0.03     0.04   0.13   0.09
     6   6     0.01   0.06   0.02     0.02  -0.02  -0.09    -0.02  -0.17  -0.03
     7   6    -0.02  -0.08  -0.01     0.07  -0.06   0.14    -0.11   0.00   0.01
     8   6     0.06  -0.13  -0.06     0.03   0.03  -0.05    -0.09  -0.02   0.01
     9   6    -0.05   0.09  -0.13    -0.03  -0.06  -0.04     0.02   0.02   0.01
    10   6    -0.01  -0.01   0.16     0.01   0.07  -0.00     0.01   0.00  -0.01
    11   6     0.02  -0.00  -0.00    -0.05  -0.02   0.02     0.12   0.04  -0.02
    12   6     0.02   0.03   0.02    -0.03   0.00  -0.01     0.07  -0.00  -0.07
    13   8    -0.01   0.02   0.03    -0.00   0.04  -0.01    -0.04  -0.01  -0.03
    14   8    -0.02   0.07   0.00    -0.00   0.00  -0.01     0.01  -0.10  -0.00
    15   1     0.02   0.12   0.04    -0.10   0.12  -0.05     0.06   0.35   0.12
    16   1    -0.02  -0.11  -0.04    -0.07  -0.09   0.05    -0.09  -0.36  -0.11
    17   1    -0.01  -0.08  -0.03     0.13   0.07   0.08     0.02   0.32   0.14
    18   1     0.02   0.08   0.02     0.05  -0.06  -0.14     0.00  -0.34  -0.13
    19   1    -0.07  -0.14  -0.01     0.28  -0.47   0.26    -0.11   0.02   0.00
    20   1    -0.09  -0.10   0.01    -0.06   0.16   0.54    -0.12  -0.01  -0.01
    21   1     0.06  -0.13  -0.06     0.04   0.06  -0.05    -0.11  -0.07  -0.01
    22   1    -0.15   0.20  -0.28    -0.03  -0.10   0.10     0.06   0.02  -0.09
    23   1    -0.07   0.26   0.12    -0.10  -0.13  -0.11     0.08   0.03   0.01
    24   1    -0.10   0.10  -0.33    -0.04  -0.07  -0.09     0.05   0.03   0.12
    25   1    -0.01  -0.13   0.32     0.01   0.06   0.02     0.01   0.07  -0.09
    26   1    -0.06   0.30   0.10     0.01   0.14  -0.02     0.09   0.01   0.00
    27   1    -0.06  -0.03   0.38     0.02   0.05   0.05     0.04  -0.04   0.05
    28   1     0.02  -0.01  -0.00    -0.10  -0.01   0.01     0.10   0.11  -0.01
    29   6     0.04  -0.02  -0.00    -0.02  -0.02  -0.02     0.04   0.09   0.04
    30   1    -0.09   0.04  -0.04     0.06   0.02  -0.02    -0.16  -0.11   0.15
    31   1     0.03  -0.07  -0.03    -0.03  -0.05  -0.04     0.06   0.16   0.13
    32   1     0.09  -0.01   0.01    -0.01  -0.02  -0.03    -0.01   0.07   0.01
    33   1     0.05  -0.03  -0.00    -0.01  -0.00  -0.01    -0.03   0.09   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    426.6512               475.1605               561.8093
 Red. masses --      3.2221                 3.3424                 2.9733
 Frc consts  --      0.3456                 0.4446                 0.5529
 IR Inten    --      1.9970                 3.4841                32.4741
 RamAct Fr= 1--      2.4476                 0.6386                 0.0667
  Dep-P Fr= 1--      0.1114                 0.2146                 0.7500
  Dep-U Fr= 1--      0.2005                 0.3534                 0.8571
 Alpha2 Fr= 1--      0.0417                 0.0083                 0.0000
 Beta2  Fr= 1--      0.0818                 0.0376                 0.0095
 AlphaG Fr= 1--     -0.0823                 0.0051                 0.0000
 Gamma2 Fr= 1--     -0.8687                -0.1015                -0.0067
 Delta2 Fr= 1--     -0.0248                -0.0418                -0.0616
 Raman1 Fr= 1--       9.791                  2.554                  0.267
 ROA1   Fr= 1--     -84.188                -11.085                 -2.619
 CID1   Fr= 1--      -8.599                 -4.339                 -9.822
 Raman2 Fr= 1--       0.981                  0.451                  0.114
 ROA2   Fr= 1--     -20.650                 -2.103                  0.331
 CID2   Fr= 1--     -21.039                 -4.659                  2.895
 Raman3 Fr= 1--       1.963                  0.903                  0.229
 ROA3   Fr= 1--     -84.188                -11.085                 -2.619
 CID3   Fr= 1--     -42.888                -12.278                -11.459
 RC180  Fr= 1--      -0.599                 -0.293                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.08   0.10    -0.04  -0.06   0.00     0.01  -0.06  -0.07
     2   6     0.07  -0.05   0.03     0.02   0.11   0.05    -0.04   0.16   0.05
     3   6     0.00  -0.09  -0.05    -0.05  -0.03  -0.01     0.04   0.02  -0.00
     4   6    -0.08   0.04  -0.03    -0.04   0.15   0.04     0.11   0.18   0.08
     5   6    -0.03   0.17  -0.01    -0.07  -0.01  -0.03     0.06   0.00   0.06
     6   6    -0.04  -0.14  -0.04    -0.06  -0.05  -0.03     0.03  -0.10  -0.00
     7   6     0.11   0.02  -0.08     0.07   0.08   0.01    -0.10   0.07   0.04
     8   6     0.09   0.02   0.02     0.21   0.01  -0.02     0.01  -0.02  -0.01
     9   6     0.00   0.02   0.01    -0.03  -0.02  -0.05    -0.01  -0.01  -0.03
    10   6    -0.02  -0.04  -0.01    -0.02  -0.05   0.03    -0.00  -0.03   0.02
    11   6    -0.12  -0.05   0.02    -0.02   0.09   0.07     0.05  -0.06  -0.10
    12   6    -0.08  -0.00   0.09    -0.03  -0.01  -0.05     0.01  -0.03   0.04
    13   8     0.06  -0.01   0.04    -0.01  -0.06  -0.08     0.02   0.02   0.06
    14   8    -0.01   0.12   0.01     0.04  -0.15   0.02    -0.02   0.07  -0.02
    15   1     0.07   0.22   0.14    -0.07  -0.20  -0.05     0.01  -0.37  -0.16
    16   1     0.07  -0.20  -0.15    -0.04  -0.16  -0.08    -0.05  -0.24  -0.06
    17   1    -0.01   0.32   0.05    -0.09  -0.14  -0.08     0.00  -0.25  -0.04
    18   1    -0.14  -0.28  -0.03    -0.13  -0.20  -0.05     0.06  -0.38  -0.17
    19   1     0.02   0.22  -0.14    -0.01   0.07   0.00    -0.14   0.03   0.04
    20   1     0.19  -0.07  -0.27     0.02   0.03  -0.02    -0.17   0.05   0.05
    21   1     0.11   0.07   0.03     0.21   0.02  -0.02    -0.01  -0.09  -0.03
    22   1    -0.01   0.01   0.07    -0.15   0.02   0.13    -0.03   0.01  -0.02
    23   1    -0.05   0.01   0.04    -0.16  -0.01   0.01    -0.02   0.01  -0.00
    24   1    -0.02   0.02  -0.07    -0.11  -0.07  -0.32    -0.02  -0.02  -0.08
    25   1    -0.03  -0.11   0.06    -0.05  -0.28   0.21    -0.01  -0.07   0.05
    26   1    -0.09  -0.09  -0.00    -0.17  -0.02   0.01    -0.02  -0.00   0.01
    27   1    -0.08   0.03  -0.11    -0.17   0.08  -0.06    -0.03  -0.01   0.03
    28   1    -0.08  -0.15   0.01    -0.02   0.14   0.08     0.02  -0.16  -0.12
    29   6    -0.04  -0.10  -0.05     0.06   0.12   0.06    -0.10  -0.09  -0.07
    30   1     0.20   0.13  -0.18     0.20  -0.07   0.21    -0.05   0.02  -0.19
    31   1    -0.06  -0.17  -0.15     0.05   0.11  -0.00    -0.06   0.04   0.11
    32   1     0.02  -0.07  -0.01     0.06   0.11   0.02    -0.20  -0.12  -0.01
    33   1     0.04  -0.11  -0.04     0.11   0.18   0.08    -0.25  -0.21  -0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --    574.6024               626.7040               643.7009
 Red. masses --      1.9074                 2.0760                 2.7198
 Frc consts  --      0.3710                 0.4804                 0.6640
 IR Inten    --     34.4608                36.9723                33.0647
 RamAct Fr= 1--      0.7635                 1.3459                 2.7708
  Dep-P Fr= 1--      0.4716                 0.4627                 0.6785
  Dep-U Fr= 1--      0.6410                 0.6326                 0.8084
 Alpha2 Fr= 1--      0.0043                 0.0078                 0.0035
 Beta2  Fr= 1--      0.0816                 0.1419                 0.3733
 AlphaG Fr= 1--      0.0163                 0.0184                -0.0120
 Gamma2 Fr= 1--     -0.4647                -0.4799                -0.2952
 Delta2 Fr= 1--     -0.1247                 0.3897                -0.3238
 Raman1 Fr= 1--       3.054                  5.384                 11.083
 ROA1   Fr= 1--     -48.597                -33.596                -38.699
 CID1   Fr= 1--     -15.912                 -6.240                 -3.492
 Raman2 Fr= 1--       0.979                  1.703                  4.480
 ROA2   Fr= 1--     -10.154                -14.634                 -4.493
 CID2   Fr= 1--     -10.374                 -8.593                 -1.003
 Raman3 Fr= 1--       1.958                  3.406                  8.960
 ROA3   Fr= 1--     -48.597                -33.596                -38.699
 CID3   Fr= 1--     -24.825                 -9.864                 -4.319
 RC180  Fr= 1--       0.282                  0.265                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.02   0.01    -0.04  -0.02  -0.02     0.06   0.02  -0.09
     2   6     0.05   0.07   0.03    -0.07  -0.06  -0.00    -0.04  -0.02  -0.06
     3   6     0.04  -0.05  -0.02    -0.03   0.05  -0.04     0.09  -0.03   0.06
     4   6     0.01   0.05   0.01     0.05  -0.07  -0.05     0.03  -0.07   0.03
     5   6     0.04  -0.04  -0.05     0.03   0.02   0.02    -0.07  -0.03   0.12
     6   6     0.06   0.03   0.00     0.01  -0.05   0.04    -0.09   0.02  -0.03
     7   6    -0.02  -0.05  -0.01    -0.04   0.07   0.04    -0.02   0.03  -0.00
     8   6    -0.12  -0.03   0.00     0.08   0.02  -0.00     0.04   0.01   0.00
     9   6    -0.00   0.01   0.01     0.00  -0.01  -0.02     0.00  -0.00  -0.01
    10   6    -0.00   0.01  -0.00     0.01  -0.02   0.01     0.00  -0.01   0.00
    11   6    -0.06   0.01   0.06     0.08  -0.06   0.03     0.02   0.09  -0.13
    12   6    -0.13  -0.01   0.01    -0.03  -0.06  -0.00     0.03   0.08   0.01
    13   8     0.00   0.02  -0.03    -0.01   0.09   0.05    -0.02  -0.11  -0.05
    14   8    -0.03  -0.04   0.01    -0.07  -0.02  -0.07    -0.04   0.03   0.13
    15   1     0.06  -0.07  -0.02     0.04   0.10   0.05     0.03   0.13  -0.07
    16   1     0.06  -0.18  -0.10    -0.04   0.22   0.04     0.03   0.05   0.15
    17   1     0.05  -0.19  -0.09    -0.02   0.21   0.06    -0.03   0.07   0.17
    18   1     0.04  -0.06  -0.03     0.05   0.10   0.08     0.00   0.13  -0.05
    19   1    -0.04  -0.04  -0.02    -0.04   0.05   0.04    -0.01   0.06  -0.00
    20   1    -0.03  -0.05  -0.01    -0.04   0.07   0.03    -0.02   0.01  -0.03
    21   1    -0.11  -0.01   0.01     0.06  -0.06  -0.03     0.02  -0.02  -0.01
    22   1     0.07  -0.01  -0.14    -0.07   0.01   0.11    -0.03   0.01   0.04
    23   1     0.08   0.03   0.00    -0.06  -0.02  -0.01    -0.03  -0.01  -0.00
    24   1     0.05   0.06   0.16    -0.04  -0.06  -0.15    -0.02  -0.02  -0.06
    25   1     0.02   0.16  -0.09    -0.02  -0.14   0.08    -0.01  -0.06   0.03
    26   1     0.08   0.03   0.00    -0.06  -0.03   0.00    -0.02  -0.02   0.00
    27   1     0.10  -0.09   0.08    -0.08   0.07  -0.05    -0.04   0.03  -0.03
    28   1    -0.02   0.01   0.07     0.13  -0.05   0.05    -0.03   0.05  -0.15
    29   6     0.01   0.03   0.02     0.03   0.03   0.03    -0.02  -0.02  -0.03
    30   1     0.77   0.14  -0.14     0.63   0.08  -0.42     0.72   0.22   0.09
    31   1    -0.01   0.01  -0.07     0.04   0.14   0.03     0.01  -0.07   0.11
    32   1     0.00   0.02  -0.04    -0.08  -0.03  -0.09     0.07   0.04   0.15
    33   1     0.09   0.11   0.05     0.05   0.13   0.05    -0.15  -0.23  -0.10
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.9918               708.2046               759.2806
 Red. masses --      5.0120                 2.9520                 4.0275
 Frc consts  --      1.3098                 0.8724                 1.3680
 IR Inten    --      8.6141                35.4656                12.7880
 RamAct Fr= 1--      4.7914                 0.1979                 9.4393
  Dep-P Fr= 1--      0.5447                 0.7485                 0.0038
  Dep-U Fr= 1--      0.7052                 0.8561                 0.0075
 Alpha2 Fr= 1--      0.0189                 0.0000                 0.2079
 Beta2  Fr= 1--      0.5632                 0.0282                 0.0118
 AlphaG Fr= 1--     -0.0576                -0.0006                 0.0113
 Gamma2 Fr= 1--     -0.0819                 0.2556                 0.1555
 Delta2 Fr= 1--     -0.0425                -0.1451                -0.0386
 Raman1 Fr= 1--      19.166                  0.792                 37.757
 ROA1   Fr= 1--      -9.218                 19.889                 13.693
 CID1   Fr= 1--      -0.481                 25.123                  0.363
 Raman2 Fr= 1--       6.758                  0.339                  0.141
 ROA2   Fr= 1--      -1.625                  7.295                  4.041
 CID2   Fr= 1--      -0.240                 21.525                 28.612
 Raman3 Fr= 1--      13.516                  0.678                  0.283
 ROA3   Fr= 1--      -9.218                 19.889                 13.693
 CID3   Fr= 1--      -0.682                 29.345                 48.471
 RC180  Fr= 1--       0.410                  0.712                 -0.985
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.04   0.16     0.09  -0.05  -0.08    -0.01  -0.14   0.05
     2   6    -0.01  -0.04   0.07    -0.03   0.01   0.01     0.10   0.19   0.07
     3   6    -0.21   0.07  -0.10     0.11   0.02  -0.02     0.02   0.09   0.12
     4   6     0.01   0.01  -0.08     0.01  -0.09  -0.03    -0.11  -0.18  -0.06
     5   6     0.20   0.02  -0.14     0.08   0.02   0.01     0.00   0.15  -0.05
     6   6     0.23  -0.08   0.12     0.06  -0.07  -0.01    -0.03  -0.07  -0.13
     7   6    -0.02   0.01   0.03    -0.13   0.15   0.07     0.04   0.06   0.02
     8   6     0.01   0.00  -0.00    -0.01  -0.01  -0.00    -0.10  -0.03   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.02  -0.07    -0.02  -0.02  -0.06
    10   6     0.01  -0.01   0.01     0.01  -0.06   0.03    -0.01  -0.05   0.03
    11   6    -0.00   0.08  -0.11    -0.12   0.00   0.10    -0.01  -0.00   0.01
    12   6     0.03   0.12  -0.01    -0.14   0.04   0.01     0.21   0.02  -0.05
    13   8    -0.03  -0.11  -0.09     0.02   0.00  -0.09    -0.05  -0.01   0.05
    14   8     0.00   0.04   0.14     0.07   0.01   0.03    -0.07  -0.02  -0.00
    15   1    -0.10  -0.02   0.20     0.19   0.09   0.01    -0.12  -0.35  -0.06
    16   1    -0.16   0.12  -0.11     0.16   0.28   0.06     0.13   0.22   0.09
    17   1     0.13   0.11  -0.14     0.14   0.27   0.12     0.11   0.25   0.02
    18   1     0.20  -0.03   0.17     0.14   0.10   0.00    -0.16  -0.31  -0.15
    19   1     0.03  -0.11   0.07    -0.15   0.15   0.07    -0.00   0.07   0.01
    20   1    -0.05   0.08   0.14    -0.13   0.13   0.05     0.01   0.05   0.03
    21   1     0.01  -0.03  -0.00    -0.06  -0.17  -0.06    -0.08   0.03   0.02
    22   1    -0.02  -0.00   0.02    -0.04  -0.00  -0.03     0.07  -0.03  -0.21
    23   1    -0.01  -0.01  -0.00    -0.02  -0.02  -0.06     0.06   0.01  -0.07
    24   1    -0.01  -0.02  -0.02    -0.02  -0.04  -0.11     0.04   0.04   0.09
    25   1    -0.00  -0.04   0.03    -0.00  -0.11   0.06     0.02   0.10  -0.05
    26   1    -0.01  -0.01   0.01    -0.01  -0.06   0.03     0.08  -0.03   0.04
    27   1    -0.01   0.01  -0.00    -0.03  -0.03   0.03     0.11  -0.16   0.12
    28   1    -0.04   0.04  -0.13    -0.07   0.01   0.11    -0.05   0.12   0.03
    29   6    -0.04  -0.04  -0.06    -0.03  -0.01   0.01     0.01   0.01   0.01
    30   1     0.33   0.16   0.30    -0.34  -0.02   0.34     0.25   0.03  -0.16
    31   1    -0.02  -0.12   0.04    -0.08  -0.14  -0.21    -0.01  -0.08  -0.06
    32   1     0.06   0.02   0.12     0.05   0.00  -0.08     0.10   0.04   0.01
    33   1    -0.15  -0.24  -0.12     0.16   0.12   0.06     0.08   0.04   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    785.5583               822.9498               832.2749
 Red. masses --      3.0906                 3.3060                 2.5160
 Frc consts  --      1.1237                 1.3192                 1.0268
 IR Inten    --      1.3590                 9.3489                 0.9230
 RamAct Fr= 1--     27.7747                 3.1542                 8.1048
  Dep-P Fr= 1--      0.0229                 0.1850                 0.1228
  Dep-U Fr= 1--      0.0447                 0.3123                 0.2188
 Alpha2 Fr= 1--      0.5850                 0.0446                 0.1341
 Beta2  Fr= 1--      0.2071                 0.1642                 0.2955
 AlphaG Fr= 1--     -0.0391                -0.0296                 0.0219
 Gamma2 Fr= 1--     -1.1602                -0.0712                 1.2510
 Delta2 Fr= 1--     -0.0753                 0.1133                 0.1856
 Raman1 Fr= 1--     111.099                 12.617                 32.419
 ROA1   Fr= 1--    -113.789                 -3.207                126.037
 CID1   Fr= 1--      -1.024                 -0.254                  3.888
 Raman2 Fr= 1--       2.485                  1.970                  3.546
 ROA2   Fr= 1--     -27.242                 -2.614                 28.540
 CID2   Fr= 1--     -10.963                 -1.327                  8.048
 Raman3 Fr= 1--       4.970                  3.940                  7.093
 ROA3   Fr= 1--    -113.789                 -3.207                126.037
 CID3   Fr= 1--     -22.895                 -0.814                 17.770
 RC180  Fr= 1--      -0.911                 -0.375                 -0.562
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.08     0.06   0.05  -0.00    -0.03   0.04  -0.05
     2   6     0.03  -0.11  -0.05    -0.04  -0.13  -0.03    -0.01  -0.03  -0.01
     3   6    -0.01  -0.09   0.04     0.05  -0.01  -0.03    -0.05   0.06  -0.06
     4   6    -0.03   0.13   0.05    -0.02   0.08   0.04     0.04  -0.03  -0.01
     5   6    -0.01  -0.05  -0.08     0.03   0.01  -0.04    -0.04   0.02   0.09
     6   6    -0.00   0.05  -0.04     0.03   0.06   0.01    -0.04   0.02   0.07
     7   6     0.03   0.19   0.07    -0.10   0.02   0.03     0.13   0.04   0.00
     8   6    -0.11   0.02   0.02     0.04   0.01   0.00    -0.06   0.04   0.02
     9   6    -0.01  -0.03  -0.16     0.02   0.01   0.01    -0.01  -0.01  -0.10
    10   6     0.02  -0.13   0.10     0.01   0.02  -0.01     0.00  -0.07   0.07
    11   6     0.01   0.04  -0.06    -0.09  -0.03   0.14     0.07  -0.11   0.07
    12   6     0.03  -0.04   0.02     0.28   0.06  -0.10    -0.02   0.06  -0.05
    13   8     0.02  -0.01   0.06    -0.07  -0.01   0.02    -0.03   0.02  -0.08
    14   8    -0.01  -0.02  -0.04    -0.06  -0.02   0.02     0.01   0.04   0.07
    15   1    -0.03   0.32   0.16     0.12   0.01   0.01    -0.02  -0.12  -0.10
    16   1     0.04  -0.05   0.02     0.07  -0.24  -0.16    -0.15  -0.11  -0.07
    17   1     0.06   0.02  -0.03     0.01  -0.33  -0.16    -0.19  -0.28  -0.06
    18   1    -0.01   0.36   0.11     0.02  -0.03  -0.03    -0.06  -0.25  -0.04
    19   1     0.14   0.22   0.08    -0.10   0.06   0.02     0.21   0.11   0.00
    20   1     0.12   0.24   0.08    -0.06   0.01  -0.02     0.23   0.07  -0.01
    21   1    -0.12  -0.04  -0.00    -0.01  -0.14  -0.06    -0.02   0.16   0.06
    22   1     0.05  -0.06  -0.23    -0.06   0.03   0.14     0.07  -0.06  -0.17
    23   1     0.06  -0.06  -0.23    -0.06  -0.01   0.02     0.06  -0.05  -0.20
    24   1     0.03  -0.01  -0.03    -0.03  -0.05  -0.12     0.03   0.01   0.05
    25   1     0.03  -0.03   0.01    -0.01  -0.10   0.05     0.02   0.05  -0.04
    26   1     0.10  -0.20   0.12    -0.05   0.01  -0.02     0.10  -0.16   0.09
    27   1     0.09  -0.19   0.12    -0.08   0.10  -0.07     0.10  -0.15   0.07
    28   1    -0.04  -0.01  -0.08    -0.12   0.24   0.19     0.14  -0.05   0.10
    29   6     0.01   0.02  -0.01    -0.08  -0.08  -0.02    -0.00  -0.06   0.00
    30   1    -0.01  -0.05  -0.18     0.17   0.04  -0.02     0.06   0.10   0.26
    31   1     0.03   0.04   0.12    -0.14  -0.20  -0.32    -0.00   0.11  -0.06
    32   1     0.02   0.04   0.11     0.00  -0.08  -0.21    -0.20  -0.17  -0.26
    33   1    -0.11  -0.12  -0.06     0.19   0.18   0.08     0.06   0.18   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --    856.0954               857.7443               869.9837
 Red. masses --      1.3089                 3.2313                 1.7783
 Frc consts  --      0.5652                 1.4007                 0.7930
 IR Inten    --      1.6830                 5.8184                23.1868
 RamAct Fr= 1--      1.4538                10.5491                 3.3025
  Dep-P Fr= 1--      0.2515                 0.2227                 0.0494
  Dep-U Fr= 1--      0.4019                 0.3642                 0.0941
 Alpha2 Fr= 1--      0.0172                 0.1348                 0.0653
 Beta2  Fr= 1--      0.0974                 0.6404                 0.0518
 AlphaG Fr= 1--     -0.0041                -0.0607                -0.0048
 Gamma2 Fr= 1--     -0.5727                 0.8164                 0.3791
 Delta2 Fr= 1--     -0.4694                -0.1062                 0.5863
 Raman1 Fr= 1--       5.815                 42.197                 13.210
 ROA1   Fr= 1--     -70.003                 74.975                 55.152
 CID1   Fr= 1--     -12.038                  1.777                  4.175
 Raman2 Fr= 1--       1.169                  7.685                  0.622
 ROA2   Fr= 1--      -9.990                 20.442                  4.408
 CID2   Fr= 1--      -8.548                  2.660                  7.090
 Raman3 Fr= 1--       2.337                 15.370                  1.243
 ROA3   Fr= 1--     -70.003                 74.975                 55.152
 CID3   Fr= 1--     -29.949                  4.878                 44.357
 RC180  Fr= 1--      -0.196                 -0.272                 -0.812
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.01    -0.01  -0.04   0.15    -0.02  -0.09  -0.04
     2   6     0.00   0.02   0.01     0.02  -0.05  -0.02     0.02   0.10   0.04
     3   6    -0.00   0.06   0.01     0.05  -0.05   0.15    -0.02  -0.08  -0.05
     4   6     0.01   0.03   0.01    -0.03   0.00   0.01     0.03   0.11   0.04
     5   6    -0.02  -0.09  -0.03     0.01   0.06  -0.14    -0.02  -0.04  -0.01
     6   6    -0.02  -0.07  -0.02    -0.06   0.07  -0.14    -0.02  -0.04  -0.01
     7   6     0.02  -0.01   0.01    -0.11   0.02   0.02     0.05  -0.02  -0.01
     8   6    -0.00  -0.01  -0.00     0.03  -0.01  -0.01    -0.01  -0.04  -0.01
     9   6    -0.00  -0.00  -0.00     0.01   0.01   0.04    -0.01  -0.01   0.03
    10   6    -0.01   0.00  -0.00     0.01   0.03  -0.03    -0.02   0.01  -0.03
    11   6     0.01  -0.02   0.03     0.16  -0.13   0.01     0.03  -0.03   0.05
    12   6     0.02   0.01  -0.02    -0.08   0.05  -0.03     0.05   0.02  -0.03
    13   8    -0.01   0.00  -0.01    -0.02   0.03  -0.08    -0.02   0.01  -0.02
    14   8    -0.00   0.01   0.01     0.02   0.06   0.06    -0.01   0.01   0.02
    15   1    -0.05  -0.36  -0.14    -0.14  -0.03   0.11     0.07   0.57   0.20
    16   1    -0.07  -0.36  -0.14     0.13  -0.15   0.04     0.05   0.52   0.19
    17   1     0.06   0.56   0.21     0.10  -0.07  -0.14    -0.01   0.21   0.08
    18   1     0.06   0.50   0.19    -0.16   0.06  -0.07    -0.00   0.21   0.09
    19   1    -0.01   0.03  -0.01    -0.13   0.01   0.02    -0.03  -0.04  -0.02
    20   1     0.02  -0.04  -0.04    -0.13   0.00   0.01    -0.01  -0.06  -0.03
    21   1     0.01   0.03  -0.00    -0.02  -0.17  -0.06     0.02   0.07   0.02
    22   1     0.00  -0.00  -0.01    -0.05   0.03   0.11     0.02  -0.00  -0.06
    23   1     0.01   0.00   0.01    -0.05   0.01   0.08     0.02   0.04   0.07
    24   1     0.00   0.01   0.00    -0.03  -0.03  -0.08     0.01   0.04   0.07
    25   1     0.00   0.04  -0.02    -0.01  -0.07   0.04     0.00   0.09  -0.03
    26   1     0.01   0.01  -0.00    -0.06   0.06  -0.04     0.01   0.08  -0.04
    27   1     0.02  -0.02   0.01    -0.07   0.09  -0.04     0.03  -0.04   0.04
    28   1     0.01   0.00   0.03     0.23  -0.19   0.01     0.04   0.04   0.07
    29   6    -0.01  -0.02  -0.01     0.06  -0.05   0.00    -0.03  -0.07  -0.02
    30   1     0.02   0.02   0.03     0.04   0.10   0.24     0.04   0.03   0.06
    31   1    -0.01   0.02  -0.03     0.11   0.33   0.18    -0.03   0.06  -0.04
    32   1    -0.06  -0.05  -0.07    -0.31  -0.20  -0.22    -0.15  -0.13  -0.18
    33   1     0.00   0.04   0.01    -0.09   0.12   0.02     0.00   0.09   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.7413               942.7612               958.7782
 Red. masses --      1.5468                 1.2134                 1.5498
 Frc consts  --      0.7394                 0.6354                 0.8394
 IR Inten    --      0.1895                 0.3212                 0.0395
 RamAct Fr= 1--      0.5044                 0.2579                 5.2085
  Dep-P Fr= 1--      0.7200                 0.7422                 0.7498
  Dep-U Fr= 1--      0.8372                 0.8520                 0.8570
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0704                 0.0366                 0.7440
 AlphaG Fr= 1--     -0.0008                -0.0006                -0.0013
 Gamma2 Fr= 1--      0.3130                -0.0870                 0.5951
 Delta2 Fr= 1--      0.2721                -0.0373                -0.9878
 Raman1 Fr= 1--       2.018                  1.031                 20.834
 ROA1   Fr= 1--      38.759                 -9.546                 25.517
 CID1   Fr= 1--      19.210                 -9.255                  1.225
 Raman2 Fr= 1--       0.845                  0.439                  8.928
 ROA2   Fr= 1--       5.337                 -1.790                 22.184
 CID2   Fr= 1--       6.318                 -4.075                  2.485
 Raman3 Fr= 1--       1.689                  0.879                 17.855
 ROA3   Fr= 1--      38.759                 -9.546                 25.517
 CID3   Fr= 1--      22.944                -10.862                  1.429
 RC180  Fr= 1--       0.674                  0.704                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.03     0.00  -0.01   0.01     0.00  -0.00   0.01
     2   6     0.00  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     3   6    -0.03   0.00  -0.01     0.01  -0.00   0.00     0.01  -0.03   0.01
     4   6     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.00   0.02   0.01
     5   6     0.03   0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.09  -0.05
     6   6     0.01   0.02  -0.03    -0.00  -0.00   0.01     0.01   0.10   0.03
     7   6     0.02  -0.06   0.16    -0.01   0.03  -0.06    -0.04  -0.07  -0.02
     8   6     0.01  -0.02   0.05     0.00  -0.01   0.02     0.01   0.08   0.03
     9   6     0.05  -0.01  -0.05     0.05  -0.06   0.01     0.01   0.04  -0.06
    10   6    -0.05   0.04  -0.02    -0.04   0.04   0.06     0.02  -0.01   0.06
    11   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.03   0.03  -0.03     0.01  -0.01   0.02    -0.01  -0.04  -0.00
    16   1    -0.06   0.03   0.04     0.03  -0.00  -0.01     0.04   0.13   0.06
    17   1     0.07  -0.06  -0.01    -0.03   0.01   0.00     0.09   0.56   0.19
    18   1     0.02  -0.02  -0.06    -0.01  -0.01   0.02    -0.08  -0.56  -0.22
    19   1    -0.16   0.49   0.01     0.08  -0.20  -0.00    -0.05  -0.05  -0.02
    20   1     0.12  -0.36  -0.35    -0.06   0.14   0.15    -0.04  -0.07  -0.01
    21   1    -0.02   0.07  -0.20    -0.03   0.10  -0.27     0.01   0.09   0.03
    22   1    -0.10   0.04   0.14    -0.11   0.11  -0.15     0.01  -0.02   0.13
    23   1    -0.13  -0.02   0.01    -0.12   0.17   0.41     0.00  -0.10  -0.25
    24   1    -0.05  -0.09  -0.33    -0.03   0.06  -0.37    -0.01  -0.07  -0.01
    25   1    -0.01   0.29  -0.19    -0.05   0.20  -0.31    -0.01  -0.05  -0.04
    26   1     0.13   0.02  -0.00     0.19  -0.39   0.16     0.05  -0.23   0.11
    27   1     0.13  -0.11   0.05     0.07   0.03  -0.20    -0.02   0.06  -0.11
    28   1    -0.03  -0.02  -0.02     0.01   0.01   0.01     0.02   0.02   0.01
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.01   0.00   0.03    -0.01  -0.00  -0.01    -0.01   0.01  -0.01
    32   1     0.01   0.02   0.03    -0.00  -0.00  -0.01    -0.03  -0.03  -0.03
    33   1    -0.03  -0.03  -0.02     0.01   0.01   0.01    -0.01   0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    970.0690               973.8051               982.0901
 Red. masses --      1.6845                 1.5729                 1.4181
 Frc consts  --      0.9339                 0.8788                 0.8058
 IR Inten    --      0.2446                 0.0142                 0.0483
 RamAct Fr= 1--      4.7151                 3.1329                 0.3621
  Dep-P Fr= 1--      0.7442                 0.7484                 0.6981
  Dep-U Fr= 1--      0.8534                 0.8561                 0.8222
 Alpha2 Fr= 1--      0.0005                 0.0001                 0.0003
 Beta2  Fr= 1--      0.6706                 0.4470                 0.0496
 AlphaG Fr= 1--      0.0103                -0.0005                -0.0024
 Gamma2 Fr= 1--     -2.0961                -0.0772                 0.9928
 Delta2 Fr= 1--      0.7300                -0.0194                 0.0860
 Raman1 Fr= 1--      18.861                 12.532                  1.449
 ROA1   Fr= 1--    -177.864                 -8.028                 98.061
 CID1   Fr= 1--      -9.430                 -0.641                 67.698
 Raman2 Fr= 1--       8.047                  5.364                  0.595
 ROA2   Fr= 1--     -56.145                 -1.697                 23.140
 CID2   Fr= 1--      -6.977                 -0.316                 38.859
 Raman3 Fr= 1--      16.095                 10.728                  1.191
 ROA3   Fr= 1--    -177.864                 -8.028                 98.061
 CID3   Fr= 1--     -11.051                 -0.748                 82.336
 RC180  Fr= 1--       0.707                  0.712                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02     0.00  -0.00   0.01    -0.01  -0.11  -0.05
     2   6    -0.01   0.04   0.02    -0.00   0.00  -0.00    -0.01   0.03   0.01
     3   6     0.01  -0.06  -0.00     0.01  -0.00   0.00     0.02   0.10   0.04
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
     5   6     0.02   0.07   0.01    -0.00   0.00   0.00     0.01   0.01  -0.01
     6   6    -0.01  -0.08  -0.04    -0.00  -0.01   0.00     0.00  -0.02  -0.00
     7   6    -0.05  -0.11  -0.03    -0.01   0.01  -0.05    -0.02  -0.05  -0.02
     8   6     0.01   0.10   0.04    -0.01   0.05  -0.10     0.01   0.04   0.02
     9   6     0.00   0.04  -0.07     0.05   0.09   0.09    -0.00   0.02  -0.03
    10   6     0.02  -0.00   0.08    -0.03  -0.13   0.02     0.00  -0.00   0.03
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    15   1    -0.03  -0.22  -0.07     0.00  -0.01   0.01     0.09   0.62   0.22
    16   1     0.06   0.30   0.12     0.02   0.00  -0.00    -0.06  -0.60  -0.23
    17   1    -0.02  -0.35  -0.14    -0.02  -0.02  -0.01    -0.00  -0.05  -0.03
    18   1     0.07   0.48   0.17     0.00   0.04   0.02     0.02   0.09   0.04
    19   1    -0.10  -0.11  -0.04     0.01  -0.12  -0.02    -0.06  -0.07  -0.02
    20   1    -0.09  -0.12  -0.03    -0.02   0.09   0.06    -0.06  -0.07  -0.02
    21   1     0.04   0.16   0.08    -0.04   0.14  -0.34     0.03   0.10   0.04
    22   1     0.03  -0.04   0.11    -0.12   0.06   0.56     0.02  -0.02   0.05
    23   1     0.04  -0.11  -0.30    -0.14  -0.11  -0.09     0.02  -0.05  -0.14
    24   1     0.00  -0.06   0.03    -0.07  -0.14  -0.10     0.00  -0.02   0.03
    25   1    -0.02  -0.05  -0.07     0.06   0.18  -0.00    -0.01   0.00  -0.04
    26   1     0.07  -0.31   0.14     0.13   0.11  -0.01     0.05  -0.13   0.06
    27   1    -0.02   0.10  -0.16     0.22  -0.40   0.32    -0.00   0.03  -0.06
    28   1     0.01   0.02   0.00     0.01   0.01   0.00    -0.04  -0.05  -0.02
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    30   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.01     0.02   0.01   0.02
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.02   0.03   0.04
    33   1     0.01   0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7583              1046.8568              1083.8084
 Red. masses --      1.9263                 2.8537                 2.1334
 Frc consts  --      1.1687                 1.8426                 1.4765
 IR Inten    --      2.3007                 4.2446                52.2738
 RamAct Fr= 1--      9.0651                 0.0479                 2.4192
  Dep-P Fr= 1--      0.2335                 0.3842                 0.6264
  Dep-U Fr= 1--      0.3786                 0.5551                 0.7703
 Alpha2 Fr= 1--      0.1125                 0.0004                 0.0054
 Beta2  Fr= 1--      0.5721                 0.0044                 0.3106
 AlphaG Fr= 1--      0.0262                -0.0017                 0.0059
 Gamma2 Fr= 1--     -0.3790                 0.0228                 1.1882
 Delta2 Fr= 1--     -1.4339                 0.1357                 1.3120
 Raman1 Fr= 1--      36.260                  0.192                  9.677
 ROA1   Fr= 1--     -82.264                  6.535                156.047
 CID1   Fr= 1--      -2.269                 34.073                 16.126
 Raman2 Fr= 1--       6.865                  0.053                  3.727
 ROA2   Fr= 1--       2.376                 -0.537                 18.020
 CID2   Fr= 1--       0.346                -10.090                  4.835
 Raman3 Fr= 1--      13.730                  0.106                  7.454
 ROA3   Fr= 1--     -82.264                  6.535                156.047
 CID3   Fr= 1--      -5.992                 61.378                 20.935
 RC180  Fr= 1--      -0.243                  0.110                  0.541
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.06    -0.00  -0.07   0.19     0.01   0.01  -0.03
     2   6    -0.00   0.00  -0.02     0.03  -0.01  -0.00    -0.00  -0.02   0.04
     3   6     0.00   0.01   0.05    -0.05   0.08  -0.19    -0.01   0.01   0.00
     4   6     0.06  -0.02  -0.04     0.04  -0.00   0.00     0.05  -0.03   0.02
     5   6     0.00   0.00   0.02    -0.01  -0.07   0.18     0.02   0.02  -0.05
     6   6    -0.03   0.02  -0.03    -0.06   0.08  -0.19    -0.05   0.02  -0.03
     7   6     0.01  -0.00   0.01    -0.01  -0.00  -0.00     0.01  -0.01   0.02
     8   6     0.00  -0.01   0.01    -0.00   0.01  -0.00    -0.00   0.03  -0.07
     9   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.02  -0.01   0.04
    10   6    -0.00   0.00  -0.01     0.01   0.00   0.01     0.02  -0.02   0.03
    11   6     0.10   0.15  -0.02    -0.01  -0.02   0.02     0.09   0.03   0.17
    12   6    -0.07  -0.02   0.04     0.00  -0.00  -0.01    -0.01   0.08   0.04
    13   8     0.03  -0.01   0.02    -0.00   0.00  -0.01    -0.00   0.01   0.00
    14   8     0.01  -0.02  -0.02    -0.00   0.00   0.00    -0.01  -0.05  -0.09
    15   1    -0.11   0.06   0.06     0.32  -0.14   0.31     0.06   0.01  -0.01
    16   1    -0.04  -0.15   0.01     0.20   0.10  -0.37    -0.18  -0.04   0.11
    17   1    -0.02  -0.06  -0.01     0.30  -0.15   0.29     0.09  -0.02  -0.04
    18   1    -0.00   0.03  -0.05     0.20   0.12  -0.37    -0.18  -0.01   0.05
    19   1     0.03   0.03   0.00    -0.05  -0.02  -0.00    -0.25  -0.06  -0.02
    20   1    -0.03  -0.03  -0.01    -0.02  -0.00   0.00     0.25   0.07  -0.03
    21   1     0.01   0.00   0.02    -0.01  -0.02  -0.01     0.00   0.07  -0.09
    22   1     0.00  -0.00  -0.01    -0.00   0.00   0.02     0.01   0.00  -0.09
    23   1     0.00  -0.01  -0.02    -0.00  -0.01  -0.01     0.03   0.05   0.11
    24   1     0.00  -0.00  -0.00    -0.00  -0.01  -0.00     0.01   0.07   0.09
    25   1     0.00   0.02  -0.00    -0.00  -0.02  -0.00     0.00  -0.08   0.01
    26   1    -0.00   0.03  -0.01    -0.00  -0.03   0.01     0.00  -0.10   0.04
    27   1     0.00  -0.01   0.01    -0.01   0.02  -0.02    -0.01   0.03  -0.04
    28   1     0.46   0.44   0.11    -0.10  -0.07  -0.01     0.05  -0.30   0.09
    29   6    -0.12  -0.08  -0.02     0.00   0.02  -0.01    -0.06   0.02  -0.12
    30   1    -0.01  -0.04  -0.06     0.00   0.00   0.01     0.08   0.06   0.26
    31   1    -0.21  -0.26  -0.44     0.01  -0.03   0.04    -0.04  -0.25   0.06
    32   1     0.06  -0.06  -0.23     0.03   0.04   0.07     0.13   0.13   0.27
    33   1     0.22   0.16   0.08    -0.03  -0.06  -0.03    -0.18  -0.41  -0.23
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1094.9762              1103.6130              1110.5701
 Red. masses --      1.5980                 2.0149                 1.4884
 Frc consts  --      1.1288                 1.4459                 1.0816
 IR Inten    --      7.7307                38.3290                 2.1508
 RamAct Fr= 1--      3.2691                 7.8321                 3.4895
  Dep-P Fr= 1--      0.5383                 0.1608                 0.2124
  Dep-U Fr= 1--      0.6998                 0.2771                 0.3504
 Alpha2 Fr= 1--      0.0133                 0.1178                 0.0458
 Beta2  Fr= 1--      0.3813                 0.3617                 0.2038
 AlphaG Fr= 1--     -0.0205                 0.0432                -0.0158
 Gamma2 Fr= 1--      0.3347                -2.5342                 0.7624
 Delta2 Fr= 1--      0.5864                -0.8963                 0.5772
 Raman1 Fr= 1--      13.076                 31.328                 13.958
 ROA1   Fr= 1--      50.901               -271.966                 91.657
 CID1   Fr= 1--       3.893                 -8.681                  6.567
 Raman2 Fr= 1--       4.576                  4.341                  2.445
 ROA2   Fr= 1--       3.342                -53.651                 13.679
 CID2   Fr= 1--       0.730                -12.360                  5.594
 Raman3 Fr= 1--       9.151                  8.681                  4.890
 ROA3   Fr= 1--      50.901               -271.966                 91.657
 CID3   Fr= 1--       5.562                -31.327                 18.742
 RC180  Fr= 1--       0.400                 -0.446                 -0.299
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.05     0.02  -0.01   0.01     0.01   0.01   0.01
     2   6     0.02  -0.01   0.04     0.02   0.02  -0.03    -0.07  -0.04  -0.01
     3   6    -0.03   0.02  -0.03     0.01   0.02  -0.02     0.02  -0.00   0.01
     4   6    -0.04  -0.04   0.03    -0.05  -0.04  -0.01    -0.01  -0.01   0.00
     5   6     0.02   0.01  -0.01    -0.03   0.01   0.02     0.02   0.01  -0.02
     6   6     0.01   0.01  -0.03     0.02  -0.02   0.03    -0.00   0.01  -0.00
     7   6     0.00  -0.02   0.04    -0.01   0.01  -0.05    -0.02   0.03   0.01
     8   6    -0.03   0.03  -0.10    -0.02  -0.04   0.09     0.13   0.02   0.00
     9   6    -0.02  -0.01   0.05     0.04   0.03  -0.04    -0.07  -0.03  -0.00
    10   6     0.05  -0.01   0.04    -0.02   0.02  -0.03    -0.07  -0.03  -0.01
    11   6    -0.02   0.09  -0.03     0.02   0.12   0.11    -0.01   0.03   0.01
    12   6    -0.02  -0.02   0.01    -0.01   0.06   0.05    -0.00   0.00   0.01
    13   8     0.02  -0.02   0.02     0.02  -0.02   0.03     0.00  -0.01   0.01
    14   8     0.01   0.00   0.01    -0.01  -0.04  -0.07    -0.00  -0.01  -0.01
    15   1     0.08   0.02  -0.03     0.06  -0.01   0.02     0.08  -0.08   0.03
    16   1    -0.11  -0.03   0.00     0.10  -0.02  -0.11     0.07  -0.01  -0.03
    17   1     0.16  -0.07   0.03    -0.10  -0.03  -0.02     0.06  -0.02  -0.01
    18   1    -0.02  -0.00  -0.01     0.02   0.00   0.05     0.04  -0.04  -0.06
    19   1    -0.33  -0.03  -0.02     0.37   0.04   0.02    -0.18  -0.10   0.00
    20   1     0.36   0.08  -0.06    -0.26  -0.03   0.07    -0.25  -0.09  -0.01
    21   1    -0.05  -0.01  -0.16    -0.05  -0.18   0.10     0.27   0.47   0.17
    22   1    -0.01   0.01  -0.06    -0.04   0.02   0.18     0.12  -0.08  -0.29
    23   1     0.01   0.06   0.13    -0.07  -0.08  -0.14     0.15   0.06   0.02
    24   1     0.01   0.06   0.08    -0.03  -0.12  -0.16     0.05   0.13   0.23
    25   1     0.00  -0.16   0.04    -0.01   0.05  -0.00     0.01   0.28  -0.09
    26   1    -0.02  -0.15   0.06    -0.03   0.10  -0.05     0.14   0.10  -0.02
    27   1    -0.05   0.09  -0.09    -0.02   0.01   0.03     0.18  -0.26   0.15
    28   1    -0.17   0.37   0.01    -0.14   0.13   0.08    -0.08   0.08   0.01
    29   6     0.06  -0.08  -0.00     0.05  -0.08  -0.09     0.02  -0.02  -0.01
    30   1    -0.04  -0.04  -0.12     0.03   0.02   0.13    -0.00  -0.01  -0.00
    31   1     0.10   0.30   0.11     0.13   0.26   0.26     0.04   0.10   0.07
    32   1    -0.28  -0.21  -0.23    -0.31  -0.20  -0.08    -0.10  -0.07  -0.04
    33   1    -0.12   0.15   0.02    -0.32  -0.11  -0.15    -0.08   0.01  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1146.2330              1161.7590              1203.1650
 Red. masses --      1.5544                 2.0634                 2.0141
 Frc consts  --      1.2032                 1.6409                 1.7178
 IR Inten    --     44.6007               147.7013                 2.7706
 RamAct Fr= 1--      0.9307                 1.0883                 8.1371
  Dep-P Fr= 1--      0.0456                 0.7004                 0.2699
  Dep-U Fr= 1--      0.0872                 0.8238                 0.4251
 Alpha2 Fr= 1--      0.0186                 0.0009                 0.0912
 Beta2  Fr= 1--      0.0135                 0.1494                 0.5765
 AlphaG Fr= 1--      0.0265                -0.0060                 0.0085
 Gamma2 Fr= 1--     -0.5002                -1.5591                 0.6245
 Delta2 Fr= 1--     -0.3683                -0.7615                -0.0463
 Raman1 Fr= 1--       3.723                  4.353                 32.548
 ROA1   Fr= 1--     -59.804               -174.039                 58.467
 CID1   Fr= 1--     -16.065                -39.980                  1.796
 Raman2 Fr= 1--       0.162                  1.793                  6.918
 ROA2   Fr= 1--      -9.058                -31.326                 15.358
 CID2   Fr= 1--     -55.828                -17.470                  2.220
 Raman3 Fr= 1--       0.324                  3.586                 13.835
 ROA3   Fr= 1--     -59.804               -174.039                 58.467
 CID3   Fr= 1--    -184.307                -48.529                  4.226
 RC180  Fr= 1--      -0.826                  0.648                 -0.150
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00   0.02    -0.05   0.00   0.02    -0.02  -0.01   0.01
     2   6    -0.00   0.01  -0.02    -0.00   0.00  -0.01    -0.07   0.03   0.02
     3   6     0.06  -0.01   0.01     0.05  -0.00  -0.00     0.03  -0.01   0.01
     4   6    -0.05   0.02  -0.03     0.05  -0.02  -0.01     0.03  -0.00  -0.00
     5   6    -0.06  -0.01   0.04    -0.04   0.01  -0.01     0.02   0.00  -0.02
     6   6     0.08  -0.01   0.01     0.03  -0.00  -0.01    -0.02   0.00  -0.01
     7   6     0.00  -0.02   0.05     0.00  -0.01   0.01    -0.00  -0.07  -0.02
     8   6    -0.00   0.02  -0.05    -0.00   0.01  -0.01    -0.08   0.17   0.08
     9   6    -0.02  -0.01   0.02    -0.00  -0.00   0.01     0.07  -0.10  -0.02
    10   6     0.02  -0.01   0.02     0.01  -0.00   0.00     0.07  -0.08  -0.07
    11   6    -0.01  -0.01  -0.01     0.03   0.03   0.12    -0.02   0.00  -0.00
    12   6     0.02   0.08   0.04    -0.02  -0.14  -0.09     0.00   0.01   0.00
    13   8     0.01  -0.01   0.02    -0.02   0.03  -0.05     0.00  -0.00   0.00
    14   8    -0.02  -0.03  -0.07     0.03   0.04   0.12    -0.00  -0.00  -0.01
    15   1    -0.39   0.09  -0.10    -0.30   0.06  -0.07     0.05  -0.01   0.05
    16   1     0.35   0.04  -0.20     0.24   0.01  -0.14     0.05  -0.00   0.00
    17   1    -0.34   0.07  -0.05    -0.36   0.07  -0.13     0.02   0.01  -0.03
    18   1     0.46   0.03  -0.26     0.18   0.02  -0.11     0.05   0.03  -0.05
    19   1    -0.15   0.04   0.00    -0.03   0.02   0.00     0.08   0.03  -0.02
    20   1     0.12  -0.03  -0.06     0.04  -0.01  -0.02     0.08   0.01   0.02
    21   1    -0.00   0.05  -0.10    -0.01   0.01  -0.03    -0.03   0.35   0.13
    22   1     0.01  -0.01  -0.05    -0.00   0.00  -0.01    -0.14   0.12  -0.20
    23   1     0.02   0.03   0.06     0.00   0.01   0.02    -0.10   0.11   0.34
    24   1     0.01   0.05   0.07     0.00   0.01   0.01     0.02   0.09  -0.39
    25   1     0.00  -0.06   0.01     0.00  -0.02   0.01     0.10  -0.19   0.34
    26   1    -0.00  -0.07   0.03    -0.00  -0.02   0.01    -0.16   0.29  -0.15
    27   1    -0.01   0.03  -0.03    -0.01   0.01  -0.00    -0.08  -0.05   0.25
    28   1     0.14  -0.18  -0.02    -0.20   0.25   0.13    -0.06   0.00  -0.01
    29   6     0.01  -0.01   0.02    -0.01   0.02  -0.09     0.01  -0.00   0.01
    30   1     0.05   0.07   0.24    -0.10  -0.13  -0.45     0.00   0.01   0.02
    31   1     0.01   0.04  -0.00     0.02  -0.07   0.14     0.01   0.02   0.00
    32   1    -0.03  -0.04  -0.04     0.02   0.07   0.18    -0.02  -0.01  -0.01
    33   1     0.02   0.05   0.03    -0.17  -0.25  -0.17    -0.01   0.02   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.3323              1223.5745              1236.6323
 Red. masses --      1.3015                 2.0250                 2.4786
 Frc consts  --      1.1289                 1.7862                 2.2332
 IR Inten    --      3.8660                 5.7782                 6.1439
 RamAct Fr= 1--     39.6824                37.4735                29.1998
  Dep-P Fr= 1--      0.0978                 0.1752                 0.1594
  Dep-U Fr= 1--      0.1781                 0.2981                 0.2750
 Alpha2 Fr= 1--      0.6986                 0.5431                 0.4407
 Beta2  Fr= 1--      1.1779                 1.8620                 1.3382
 AlphaG Fr= 1--     -0.2602                -0.0650                -0.1204
 Gamma2 Fr= 1--     -4.0612                -0.9088                 0.6563
 Delta2 Fr= 1--      0.5176                -0.4302                 0.3749
 Raman1 Fr= 1--     158.729                149.894                116.799
 ROA1   Fr= 1--    -373.312               -101.010                 74.999
 CID1   Fr= 1--      -2.352                 -0.674                  0.642
 Raman2 Fr= 1--      14.135                 22.344                 16.059
 ROA2   Fr= 1--    -101.609                -18.370                 12.751
 CID2   Fr= 1--      -7.188                 -0.822                  0.794
 Raman3 Fr= 1--      28.270                 44.688                 32.118
 ROA3   Fr= 1--    -373.312               -101.010                 74.999
 CID3   Fr= 1--     -13.205                 -2.260                  2.335
 RC180  Fr= 1--      -0.644                 -0.404                 -0.450
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10   0.00   0.04     0.03  -0.00  -0.01
     2   6     0.04  -0.00  -0.01    -0.04   0.00   0.02     0.28  -0.04  -0.03
     3   6     0.01   0.01  -0.03     0.08  -0.00  -0.03    -0.07   0.03  -0.05
     4   6    -0.11   0.01   0.00     0.21  -0.03  -0.01     0.06  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06  -0.00  -0.02    -0.07  -0.01   0.05
     6   6    -0.00  -0.02   0.05    -0.08   0.02  -0.02     0.04   0.00  -0.03
     7   6    -0.02  -0.00   0.00     0.03   0.01  -0.01    -0.12   0.01   0.01
     8   6     0.00   0.02   0.01     0.00  -0.03  -0.01     0.02   0.08   0.05
     9   6     0.00  -0.01  -0.00    -0.00   0.02   0.00     0.01  -0.03  -0.01
    10   6     0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.01  -0.03  -0.02
    11   6     0.05   0.00   0.00    -0.09  -0.00  -0.01     0.01  -0.01  -0.01
    12   6    -0.00  -0.01  -0.01    -0.00   0.02   0.02    -0.01   0.00   0.01
    13   8    -0.00   0.01  -0.01     0.01  -0.01   0.02     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.00  -0.03    -0.00   0.00  -0.01
    15   1    -0.34   0.10  -0.17    -0.51   0.10  -0.11    -0.29   0.09  -0.13
    16   1     0.38   0.06  -0.30     0.24   0.02  -0.13    -0.31  -0.00   0.11
    17   1     0.52  -0.15   0.23     0.07   0.00  -0.03    -0.38   0.07  -0.06
    18   1    -0.29  -0.06   0.26    -0.42  -0.03   0.22    -0.24  -0.04   0.20
    19   1    -0.04   0.01  -0.00     0.04   0.00  -0.00    -0.42  -0.14  -0.02
    20   1    -0.05  -0.01   0.01     0.07   0.03   0.01    -0.28  -0.04   0.04
    21   1     0.00   0.03   0.00     0.00  -0.04   0.01    -0.00  -0.03   0.08
    22   1    -0.01   0.01  -0.04     0.01  -0.01   0.04    -0.01   0.02  -0.11
    23   1     0.00   0.01   0.03    -0.00  -0.02  -0.05     0.01   0.02   0.06
    24   1     0.00   0.02  -0.02    -0.01  -0.03   0.03     0.01   0.04  -0.08
    25   1     0.01  -0.01   0.03    -0.01   0.02  -0.04     0.02   0.05   0.07
    26   1    -0.00   0.03  -0.01     0.01  -0.03   0.02     0.01   0.09  -0.04
    27   1     0.00  -0.02   0.03     0.01   0.01  -0.03     0.02  -0.09   0.11
    28   1     0.24  -0.03   0.03    -0.48   0.05  -0.07    -0.18   0.03  -0.03
    29   6    -0.01   0.00  -0.02     0.02  -0.01   0.04    -0.00   0.00   0.01
    30   1    -0.01  -0.02  -0.07     0.03   0.05   0.17     0.02   0.03   0.09
    31   1    -0.00  -0.03   0.02     0.01   0.05  -0.02    -0.02  -0.02  -0.04
    32   1     0.03   0.03   0.04    -0.07  -0.05  -0.06     0.01  -0.00  -0.03
    33   1     0.01  -0.04  -0.02    -0.01   0.09   0.05     0.02   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1244.6636              1280.6688              1309.6786
 Red. masses --      1.3864                 1.7431                 1.5941
 Frc consts  --      1.2654                 1.6844                 1.6110
 IR Inten    --      0.5742                 2.8847                 4.7985
 RamAct Fr= 1--      6.2087                 4.4090                 6.8516
  Dep-P Fr= 1--      0.7455                 0.6130                 0.4344
  Dep-U Fr= 1--      0.8542                 0.7601                 0.6057
 Alpha2 Fr= 1--      0.0005                 0.0111                 0.0447
 Beta2  Fr= 1--      0.8839                 0.5585                 0.6917
 AlphaG Fr= 1--      0.0109                 0.0081                -0.0515
 Gamma2 Fr= 1--      0.6485                 0.2648                -2.0287
 Delta2 Fr= 1--     -0.0042                -0.6198                 1.5054
 Raman1 Fr= 1--      24.835                 17.636                 27.406
 ROA1   Fr= 1--      62.119                  5.592               -146.581
 CID1   Fr= 1--       2.501                  0.317                 -5.348
 Raman2 Fr= 1--      10.607                  6.703                  8.300
 ROA2   Fr= 1--      15.598                 11.314                -60.731
 CID2   Fr= 1--       1.471                  1.688                 -7.317
 Raman3 Fr= 1--      21.213                 13.405                 16.600
 ROA3   Fr= 1--      62.119                  5.592               -146.581
 CID3   Fr= 1--       2.928                  0.417                 -8.830
 RC180  Fr= 1--       0.708                  0.520                  0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02  -0.04     0.02  -0.01   0.03     0.03  -0.01   0.02
     2   6    -0.02  -0.02   0.08     0.01   0.00  -0.02    -0.00   0.00  -0.03
     3   6     0.02   0.00  -0.02    -0.01  -0.01   0.03    -0.02  -0.01   0.03
     4   6    -0.02  -0.01   0.04     0.07   0.03  -0.12     0.01   0.03  -0.08
     5   6    -0.02   0.01  -0.02     0.03  -0.02   0.04     0.02  -0.01   0.02
     6   6     0.02   0.01  -0.03    -0.04   0.00   0.01    -0.03  -0.00   0.02
     7   6     0.00   0.02  -0.04    -0.00   0.00   0.00     0.02   0.01   0.01
     8   6     0.01  -0.04   0.09    -0.00  -0.00   0.01    -0.02  -0.02  -0.00
     9   6     0.05   0.02  -0.03     0.01   0.00  -0.00     0.01   0.00  -0.00
    10   6    -0.05   0.01  -0.02    -0.01   0.00  -0.00     0.00   0.01   0.00
    11   6     0.03  -0.00  -0.01    -0.14   0.06   0.04    -0.07  -0.06   0.00
    12   6    -0.01  -0.00   0.00     0.05   0.05   0.02     0.00  -0.10  -0.06
    13   8     0.00  -0.00   0.00    -0.02   0.01  -0.04     0.02   0.00   0.05
    14   8     0.00   0.00  -0.00     0.01  -0.03   0.03    -0.02   0.05  -0.03
    15   1    -0.07   0.02  -0.05    -0.22   0.05  -0.05    -0.13   0.02  -0.04
    16   1     0.03   0.01  -0.02    -0.23  -0.04   0.19    -0.12  -0.02   0.10
    17   1     0.07  -0.01   0.01     0.10  -0.04   0.06     0.11  -0.03   0.06
    18   1     0.16   0.03  -0.13     0.04   0.01  -0.05     0.08   0.00  -0.06
    19   1    -0.38  -0.31  -0.05    -0.16  -0.07  -0.01    -0.15  -0.07  -0.01
    20   1     0.46   0.31   0.08     0.10   0.05   0.01    -0.01  -0.02  -0.02
    21   1     0.05  -0.17   0.44     0.01  -0.04   0.11     0.02   0.06   0.09
    22   1    -0.02   0.02   0.11    -0.01   0.01   0.02    -0.01   0.01   0.03
    23   1    -0.06  -0.05  -0.08    -0.01  -0.01  -0.00    -0.03  -0.01  -0.00
    24   1    -0.02  -0.11  -0.16    -0.00  -0.02  -0.03    -0.00  -0.02  -0.04
    25   1    -0.01   0.18  -0.06    -0.00   0.03  -0.01    -0.00  -0.02  -0.00
    26   1     0.04   0.08  -0.03     0.01   0.01  -0.00    -0.02  -0.02   0.00
    27   1     0.03  -0.07   0.05     0.01  -0.02   0.01    -0.01   0.01  -0.00
    28   1    -0.00   0.02  -0.01     0.51  -0.39   0.05     0.31   0.49   0.20
    29   6    -0.01   0.00   0.00     0.05  -0.02  -0.01     0.03   0.03  -0.05
    30   1     0.01   0.01   0.02    -0.10  -0.16  -0.43     0.10   0.21   0.57
    31   1    -0.02  -0.02  -0.02     0.06   0.11   0.06     0.07   0.02   0.15
    32   1     0.03   0.01  -0.01    -0.14  -0.07   0.01    -0.02   0.05   0.15
    33   1     0.03   0.00   0.01    -0.15   0.02  -0.03    -0.09  -0.09  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1309.8917              1349.7126              1366.3219
 Red. masses --      1.5336                 2.2388                 1.4489
 Frc consts  --      1.5504                 2.4029                 1.5937
 IR Inten    --      8.2508                 0.1937                 0.1345
 RamAct Fr= 1--     24.6583                 2.0886                 1.3163
  Dep-P Fr= 1--      0.2754                 0.6619                 0.5188
  Dep-U Fr= 1--      0.4319                 0.7966                 0.6831
 Alpha2 Fr= 1--      0.2719                 0.0033                 0.0059
 Beta2  Fr= 1--      1.7750                 0.2773                 0.1499
 AlphaG Fr= 1--     -0.1118                 0.0221                 0.0082
 Gamma2 Fr= 1--     -1.2153                 5.4434                 0.2146
 Delta2 Fr= 1--     -0.7581                 3.2632                 0.1475
 Raman1 Fr= 1--      98.633                  8.354                  5.265
 ROA1   Fr= 1--    -140.923                626.993                 25.321
 CID1   Fr= 1--      -1.429                 75.050                  4.809
 Raman2 Fr= 1--      21.300                  3.327                  1.798
 ROA2   Fr= 1--     -23.101                104.537                  3.970
 CID2   Fr= 1--      -1.085                 31.417                  2.208
 Raman3 Fr= 1--      42.599                  6.655                  3.597
 ROA3   Fr= 1--    -140.923                626.993                 25.321
 CID3   Fr= 1--      -3.308                 94.218                  7.040
 RC180  Fr= 1--      -0.136                  0.593                  0.366
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.01    -0.09   0.02  -0.03    -0.08   0.02  -0.02
     2   6    -0.01  -0.03  -0.01     0.02  -0.07   0.17    -0.00   0.01  -0.02
     3   6     0.00   0.00  -0.00     0.11   0.01  -0.08     0.02  -0.00  -0.01
     4   6    -0.01  -0.01   0.02     0.03  -0.03   0.07     0.03  -0.04   0.10
     5   6    -0.00   0.00  -0.00    -0.12   0.03  -0.05    -0.01  -0.00   0.00
     6   6     0.01   0.01  -0.00     0.07   0.01  -0.06     0.07   0.01  -0.05
     7   6     0.10   0.08   0.02    -0.00   0.01  -0.04     0.00  -0.01   0.02
     8   6    -0.10  -0.09  -0.02     0.01  -0.03   0.07    -0.01   0.02  -0.05
     9   6     0.05   0.03   0.00    -0.03   0.01  -0.00     0.02  -0.01   0.01
    10   6     0.06   0.03   0.00     0.03  -0.00  -0.02    -0.01   0.00   0.01
    11   6     0.02   0.01  -0.00    -0.06  -0.02  -0.01    -0.08  -0.02  -0.02
    12   6    -0.00   0.02   0.01     0.01   0.00   0.00     0.01   0.02   0.01
    13   8    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.02  -0.03  -0.01    -0.15   0.03  -0.05     0.37  -0.10   0.15
    16   1     0.03   0.00  -0.03    -0.30  -0.04   0.22     0.23   0.03  -0.15
    17   1    -0.02   0.00  -0.01     0.30  -0.08   0.11    -0.29   0.08  -0.09
    18   1    -0.03  -0.03   0.01     0.11   0.02  -0.09    -0.36  -0.05   0.26
    19   1    -0.40  -0.26  -0.01     0.25   0.02   0.01    -0.02   0.04   0.00
    20   1    -0.43  -0.24  -0.09    -0.24  -0.04   0.05     0.01  -0.03  -0.02
    21   1     0.07   0.51   0.17    -0.06   0.19  -0.49     0.03  -0.10   0.25
    22   1    -0.05   0.06   0.12     0.06  -0.05  -0.05    -0.04   0.03   0.01
    23   1    -0.14  -0.06  -0.03     0.05  -0.02  -0.08    -0.03   0.01   0.05
    24   1    -0.02  -0.12  -0.13    -0.02  -0.01   0.06     0.01   0.01  -0.02
    25   1    -0.01  -0.18   0.02     0.03  -0.03   0.05    -0.02   0.01  -0.02
    26   1    -0.14  -0.08   0.00    -0.06   0.06  -0.04     0.04  -0.04   0.02
    27   1    -0.07   0.12  -0.04    -0.07   0.06   0.01     0.04  -0.03  -0.02
    28   1    -0.05  -0.07  -0.03     0.35   0.09   0.09     0.52   0.12   0.12
    29   6    -0.01  -0.00   0.01     0.02   0.01  -0.01     0.02   0.01  -0.02
    30   1    -0.02  -0.03  -0.09    -0.00   0.00   0.02    -0.01  -0.01  -0.02
    31   1    -0.01  -0.01  -0.03     0.02   0.01   0.02     0.04   0.02   0.07
    32   1     0.01  -0.01  -0.02    -0.03   0.01   0.04    -0.03   0.02   0.09
    33   1     0.02   0.01   0.02    -0.07  -0.02  -0.03    -0.06  -0.00  -0.04
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1375.3912              1388.1135              1392.4912
 Red. masses --      1.3962                 1.3599                 1.9815
 Frc consts  --      1.5562                 1.5439                 2.2638
 IR Inten    --      0.5239                10.5525                39.1550
 RamAct Fr= 1--      1.8205                 9.8694                 5.2927
  Dep-P Fr= 1--      0.7376                 0.3675                 0.7341
  Dep-U Fr= 1--      0.8490                 0.5375                 0.8467
 Alpha2 Fr= 1--      0.0004                 0.0818                 0.0014
 Beta2  Fr= 1--      0.2576                 0.8842                 0.7469
 AlphaG Fr= 1--     -0.0077                -0.0150                -0.0108
 Gamma2 Fr= 1--      0.1104                -0.8910                 2.2640
 Delta2 Fr= 1--     -0.1630                -0.0801                -0.9932
 Raman1 Fr= 1--       7.282                 39.478                 21.171
 ROA1   Fr= 1--       5.379                -88.102                185.560
 CID1   Fr= 1--       0.739                 -2.232                  8.765
 Raman2 Fr= 1--       3.091                 10.610                  8.962
 ROA2   Fr= 1--       3.953                -20.745                 62.281
 CID2   Fr= 1--       1.279                 -1.955                  6.949
 Raman3 Fr= 1--       6.182                 21.220                 17.924
 ROA3   Fr= 1--       5.379                -88.102                185.560
 CID3   Fr= 1--       0.870                 -4.152                 10.352
 RC180  Fr= 1--       0.698                  0.075                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.02  -0.01   0.01     0.03  -0.01   0.01
     2   6     0.01  -0.02   0.05     0.04   0.01  -0.00    -0.01  -0.00   0.00
     3   6     0.04   0.00  -0.03    -0.01   0.00  -0.01    -0.01   0.00  -0.00
     4   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.02  -0.01
     5   6    -0.05   0.01  -0.02    -0.01  -0.00   0.01     0.02  -0.00  -0.01
     6   6     0.01  -0.00   0.00     0.01   0.00  -0.01    -0.04  -0.00   0.02
     7   6     0.00  -0.00   0.01    -0.12  -0.03   0.00     0.02   0.01  -0.00
     8   6    -0.02   0.05  -0.14    -0.00  -0.10  -0.04     0.00   0.02   0.01
     9   6     0.04  -0.03  -0.00     0.02   0.01  -0.02    -0.00  -0.00   0.00
    10   6    -0.03   0.02   0.03     0.03  -0.01   0.02    -0.01   0.00  -0.01
    11   6     0.01   0.00   0.01     0.00  -0.02  -0.00     0.02  -0.17  -0.03
    12   6    -0.00  -0.00  -0.00    -0.00   0.02   0.01    -0.03   0.18   0.11
    13   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.03
    14   8     0.00   0.00   0.00     0.00  -0.01  -0.00     0.01  -0.06  -0.01
    15   1    -0.14   0.04  -0.04    -0.06   0.02  -0.02    -0.11   0.03  -0.04
    16   1    -0.19  -0.02   0.14    -0.05   0.00   0.02    -0.01   0.01   0.00
    17   1     0.22  -0.06   0.08    -0.05   0.01  -0.00     0.02   0.02   0.00
    18   1     0.14   0.01  -0.09    -0.04   0.00   0.03     0.09   0.01  -0.08
    19   1     0.25   0.16   0.02     0.28   0.31   0.02    -0.03  -0.05  -0.00
    20   1    -0.25  -0.15  -0.03     0.30   0.27   0.13    -0.06  -0.04  -0.02
    21   1     0.08  -0.23   0.62     0.21   0.63   0.21    -0.03  -0.10  -0.04
    22   1    -0.13   0.07   0.12    -0.02  -0.02   0.16     0.00  -0.00  -0.02
    23   1    -0.07   0.07   0.18    -0.08   0.05   0.09     0.01  -0.00  -0.01
    24   1     0.06   0.07   0.02     0.03  -0.07   0.09    -0.00   0.01  -0.01
    25   1    -0.06  -0.07  -0.02     0.00   0.01  -0.11    -0.00  -0.02   0.03
    26   1     0.10  -0.17   0.07    -0.09   0.09  -0.02     0.02  -0.03   0.01
    27   1     0.15  -0.12   0.01    -0.05   0.09  -0.12     0.02  -0.03   0.04
    28   1    -0.09  -0.02  -0.02    -0.00   0.08   0.02    -0.06   0.73   0.18
    29   6    -0.00   0.00   0.01     0.00   0.01  -0.00     0.01   0.06  -0.02
    30   1     0.00   0.00   0.00    -0.01  -0.02  -0.05    -0.08  -0.16  -0.40
    31   1    -0.01  -0.01  -0.03     0.00  -0.02   0.01     0.03  -0.17   0.10
    32   1     0.00  -0.01  -0.03    -0.00   0.00  -0.00    -0.06   0.03   0.01
    33   1    -0.00  -0.01   0.00     0.00  -0.03  -0.01     0.02  -0.20  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.4429              1416.1171              1425.0873
 Red. masses --      1.2778                 1.2210                 1.2483
 Frc consts  --      1.4871                 1.4426                 1.4937
 IR Inten    --      8.5200                10.7377                 8.3353
 RamAct Fr= 1--      0.0402                 0.8685                 2.9864
  Dep-P Fr= 1--      0.7247                 0.6043                 0.5453
  Dep-U Fr= 1--      0.8404                 0.7533                 0.7057
 Alpha2 Fr= 1--      0.0000                 0.0023                 0.0117
 Beta2  Fr= 1--      0.0056                 0.1090                 0.3513
 AlphaG Fr= 1--      0.0001                 0.0008                -0.0054
 Gamma2 Fr= 1--      0.0432                -0.0524                 0.0545
 Delta2 Fr= 1--      0.0256                 0.0894                 0.0805
 Raman1 Fr= 1--       0.161                  3.474                 11.946
 ROA1   Fr= 1--       4.972                 -2.171                  7.805
 CID1   Fr= 1--      30.891                 -0.625                  0.653
 Raman2 Fr= 1--       0.068                  1.309                  4.215
 ROA2   Fr= 1--       0.833                 -1.973                  0.663
 CID2   Fr= 1--      12.313                 -1.508                  0.157
 Raman3 Fr= 1--       0.135                  2.617                  8.430
 ROA3   Fr= 1--       4.972                 -2.171                  7.805
 CID3   Fr= 1--      36.757                 -0.830                  0.926
 RC180  Fr= 1--       0.681                  0.507                  0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.01    -0.01  -0.00  -0.00
     3   6    -0.01   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.01     0.01  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00   0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.04   0.01  -0.00
     8   6     0.01  -0.02   0.05    -0.00   0.00  -0.00    -0.00   0.03   0.01
     9   6    -0.00  -0.01  -0.10     0.00  -0.00   0.00     0.00  -0.03  -0.09
    10   6    -0.02   0.08  -0.07     0.00  -0.00   0.00     0.02  -0.08   0.05
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.02    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    15   1     0.02  -0.00   0.00    -0.05   0.01  -0.02     0.01  -0.01   0.00
    16   1     0.03   0.01  -0.03    -0.04  -0.01   0.01     0.01   0.00  -0.00
    17   1    -0.04   0.01  -0.02    -0.01   0.00  -0.01     0.01  -0.00   0.00
    18   1    -0.02   0.00   0.01     0.02   0.01  -0.02     0.01  -0.00  -0.01
    19   1    -0.05  -0.05  -0.01     0.02   0.01   0.00    -0.12  -0.05  -0.02
    20   1     0.06   0.05   0.02    -0.02  -0.01   0.00    -0.12  -0.06   0.00
    21   1    -0.02   0.06  -0.15     0.00  -0.00   0.01    -0.05  -0.14  -0.04
    22   1    -0.09  -0.08   0.38    -0.00   0.00  -0.01    -0.16  -0.03   0.36
    23   1    -0.06   0.23   0.29     0.00  -0.01  -0.01    -0.06   0.22   0.30
    24   1     0.12   0.02   0.40    -0.00   0.00  -0.01     0.15   0.10   0.37
    25   1    -0.04  -0.28   0.30    -0.00   0.00  -0.01     0.08   0.33  -0.23
    26   1     0.10  -0.36   0.04    -0.00   0.01  -0.00    -0.10   0.36  -0.06
    27   1     0.17  -0.18   0.30    -0.00   0.00  -0.01    -0.23   0.20  -0.24
    28   1     0.03  -0.01   0.00    -0.02   0.05   0.01    -0.00   0.01   0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.09  -0.08     0.00   0.00  -0.00
    30   1     0.00   0.00   0.01    -0.01  -0.02  -0.05    -0.00  -0.00  -0.00
    31   1     0.00   0.02   0.01     0.06   0.38   0.37     0.00  -0.00   0.00
    32   1     0.01   0.00   0.02     0.37   0.16   0.44    -0.00  -0.00   0.00
    33   1     0.01   0.02   0.00     0.31   0.47   0.12     0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.8896              1489.3062              1489.9087
 Red. masses --      2.4729                 1.0407                 1.0977
 Frc consts  --      3.1095                 1.3600                 1.4357
 IR Inten    --      9.1165                 2.6528                 3.3687
 RamAct Fr= 1--      0.3831                10.4803                15.1452
  Dep-P Fr= 1--      0.5724                 0.7500                 0.7295
  Dep-U Fr= 1--      0.7280                 0.8571                 0.8436
 Alpha2 Fr= 1--      0.0013                 0.0000                 0.0053
 Beta2  Fr= 1--      0.0465                 1.4971                 2.1294
 AlphaG Fr= 1--      0.0178                -0.0010                -0.0041
 Gamma2 Fr= 1--     -1.0891                 0.0707                -0.4134
 Delta2 Fr= 1--     -0.2271                -0.0982                 0.2195
 Raman1 Fr= 1--       1.532                 41.921                 60.581
 ROA1   Fr= 1--    -111.823                  3.648                -32.665
 CID1   Fr= 1--     -72.978                  0.087                 -0.539
 Raman2 Fr= 1--       0.558                 17.966                 25.553
 ROA2   Fr= 1--     -24.322                  2.483                -11.678
 CID2   Fr= 1--     -43.606                  0.138                 -0.457
 Raman3 Fr= 1--       1.116                 35.931                 51.107
 ROA3   Fr= 1--    -111.823                  3.648                -32.665
 CID3   Fr= 1--    -100.241                  0.102                 -0.639
 RC180  Fr= 1--       0.456                  0.714                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.00  -0.05    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.01  -0.01  -0.00
     3   6    -0.14   0.02  -0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.14  -0.00  -0.05    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.14   0.02  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.00   0.01  -0.04     0.00  -0.00   0.00     0.06  -0.05  -0.03
     8   6    -0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     9   6     0.00  -0.01   0.01    -0.04  -0.01   0.00    -0.01   0.01   0.00
    10   6     0.00   0.00   0.01     0.04   0.01  -0.00    -0.01   0.01   0.01
    11   6    -0.04   0.03  -0.03    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   6     0.00  -0.02  -0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.29   0.12  -0.22     0.01   0.00   0.01     0.02  -0.00   0.01
    16   1     0.24   0.08  -0.30    -0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.32   0.13  -0.23     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1     0.22   0.08  -0.29    -0.01  -0.01   0.01     0.02   0.00  -0.01
    19   1     0.21   0.04   0.01    -0.00   0.00  -0.00    -0.34   0.50  -0.20
    20   1    -0.21  -0.05   0.03    -0.00   0.00  -0.00    -0.25   0.22   0.54
    21   1     0.00  -0.01   0.03     0.01  -0.03   0.06    -0.02  -0.04  -0.01
    22   1    -0.04   0.03   0.00     0.17  -0.23   0.25     0.16  -0.13   0.03
    23   1     0.03  -0.02  -0.03     0.46   0.19   0.04     0.09   0.08   0.06
    24   1     0.01   0.07  -0.02    -0.06   0.14  -0.28    -0.06  -0.11  -0.09
    25   1    -0.02  -0.04  -0.06    -0.01   0.09  -0.31    -0.05  -0.15   0.01
    26   1    -0.04   0.03  -0.00    -0.46  -0.20  -0.01     0.08   0.11  -0.01
    27   1     0.04  -0.02  -0.03    -0.10  -0.01   0.37     0.14  -0.07  -0.14
    28   1     0.35  -0.08   0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    29   6     0.01   0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00   0.01   0.04     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.07    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    32   1    -0.03  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    33   1    -0.09   0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1871              1497.8501              1498.8889
 Red. masses --      1.0465                 1.0562                 1.0551
 Frc consts  --      1.3729                 1.3962                 1.3967
 IR Inten    --      4.7295                 0.2316                 8.4952
 RamAct Fr= 1--      6.6505                 0.9669                 5.1003
  Dep-P Fr= 1--      0.6174                 0.7467                 0.6664
  Dep-U Fr= 1--      0.7635                 0.8550                 0.7998
 Alpha2 Fr= 1--      0.0161                 0.0001                 0.0076
 Beta2  Fr= 1--      0.8463                 0.1378                 0.6799
 AlphaG Fr= 1--      0.0170                -0.0018                 0.0578
 Gamma2 Fr= 1--     -0.7790                 0.8326                -0.1310
 Delta2 Fr= 1--     -1.2485                 0.5778                 0.8191
 Raman1 Fr= 1--      26.602                  3.868                 20.401
 ROA1   Fr= 1--    -114.733                 98.416                 13.636
 CID1   Fr= 1--      -4.313                 25.447                  0.668
 Raman2 Fr= 1--      10.155                  1.653                  8.159
 ROA2   Fr= 1--      -8.707                 15.360                 -9.696
 CID2   Fr= 1--      -0.857                  9.290                 -1.188
 Raman3 Fr= 1--      20.310                  3.307                 16.318
 ROA3   Fr= 1--    -114.733                 98.416                 13.636
 CID3   Fr= 1--      -5.649                 29.762                  0.836
 RC180  Fr= 1--       0.527                  0.710                  0.600
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     5   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00  -0.01   0.03    -0.00   0.00  -0.01
     9   6    -0.00   0.00  -0.00     0.00  -0.04   0.00    -0.00   0.01  -0.00
    10   6     0.00   0.00   0.00     0.00   0.03   0.03    -0.00  -0.00  -0.00
    11   6     0.02  -0.00  -0.01    -0.00   0.00   0.00    -0.01   0.03  -0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.02  -0.00   0.00     0.02  -0.00   0.01    -0.01   0.00  -0.01
    16   1     0.01   0.00  -0.01    -0.00  -0.01   0.01    -0.01  -0.01  -0.00
    17   1     0.03  -0.01   0.01     0.00  -0.00   0.01    -0.01   0.00  -0.01
    18   1     0.02   0.00  -0.01    -0.02  -0.01   0.01    -0.00   0.00  -0.01
    19   1    -0.00   0.00   0.00    -0.04  -0.03  -0.00     0.01   0.01  -0.00
    20   1    -0.00   0.00   0.00     0.04   0.03   0.00    -0.02  -0.00   0.01
    21   1     0.00   0.00   0.00    -0.01   0.03  -0.07     0.00  -0.00   0.01
    22   1     0.01  -0.00   0.00    -0.34   0.21   0.09     0.06  -0.04  -0.01
    23   1     0.00   0.00   0.00     0.14  -0.12  -0.21    -0.02   0.02   0.03
    24   1    -0.00  -0.00  -0.00     0.13   0.46   0.00    -0.02  -0.07  -0.00
    25   1    -0.00  -0.00  -0.00    -0.16  -0.36  -0.28     0.03   0.06   0.05
    26   1    -0.00   0.00  -0.00    -0.17   0.22  -0.04     0.03  -0.04   0.01
    27   1     0.00  -0.00  -0.00     0.34  -0.19  -0.14    -0.05   0.03   0.02
    28   1    -0.06  -0.02  -0.04    -0.01  -0.01  -0.01     0.02  -0.09  -0.03
    29   6     0.04   0.00  -0.03    -0.00   0.01  -0.00    -0.02   0.03  -0.02
    30   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.02
    31   1    -0.02  -0.47  -0.10     0.01  -0.06   0.09     0.08  -0.33   0.56
    32   1    -0.47  -0.07   0.52    -0.05  -0.02  -0.03    -0.32  -0.11  -0.20
    33   1    -0.16   0.49   0.07     0.10  -0.02   0.01     0.61  -0.12   0.05
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.7614              1512.7155              1551.9124
 Red. masses --      1.0507                 1.0555                 2.4269
 Frc consts  --      1.4092                 1.4231                 3.4438
 IR Inten    --     11.7928                10.7917                22.8198
 RamAct Fr= 1--      1.6408                 4.1222                 0.3295
  Dep-P Fr= 1--      0.3787                 0.6680                 0.7008
  Dep-U Fr= 1--      0.5493                 0.8009                 0.8240
 Alpha2 Fr= 1--      0.0131                 0.0060                 0.0003
 Beta2  Fr= 1--      0.1502                 0.5503                 0.0453
 AlphaG Fr= 1--      0.0061                -0.0023                 0.0011
 Gamma2 Fr= 1--      0.0750                -0.1858                 0.1816
 Delta2 Fr= 1--      0.0626                 0.0685                 0.1969
 Raman1 Fr= 1--       6.563                 16.489                  1.318
 ROA1   Fr= 1--       9.208                -15.642                 23.734
 CID1   Fr= 1--       1.403                 -0.949                 18.007
 Raman2 Fr= 1--       1.803                  6.603                  0.543
 ROA2   Fr= 1--       1.300                 -5.006                  2.783
 CID2   Fr= 1--       0.721                 -0.758                  5.125
 Raman3 Fr= 1--       3.605                 13.206                  1.086
 ROA3   Fr= 1--       9.208                -15.642                 23.734
 CID3   Fr= 1--       2.554                 -1.184                 21.851
 RC180  Fr= 1--       0.099                  0.602                  0.648
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.02
     3   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.15  -0.01  -0.02
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08  -0.03   0.10
     7   6     0.02  -0.02  -0.01     0.01  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.03  -0.01  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     9   6     0.03  -0.01   0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
    10   6     0.02   0.00  -0.02    -0.02  -0.01  -0.03     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.03  -0.00   0.01
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
    13   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.01  -0.00  -0.01     0.44  -0.09   0.10
    16   1    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.42   0.03  -0.25
    17   1    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.42  -0.09   0.10
    18   1    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.39   0.03  -0.22
    19   1    -0.12   0.23  -0.08    -0.03   0.07  -0.02    -0.04   0.03  -0.00
    20   1    -0.08   0.11   0.23    -0.02   0.03   0.07    -0.04   0.01   0.03
    21   1     0.02  -0.05  -0.02     0.02   0.07   0.03     0.01   0.05   0.02
    22   1    -0.29   0.29  -0.18    -0.19   0.06   0.22    -0.02   0.02   0.01
    23   1    -0.29  -0.23  -0.15     0.36  -0.02  -0.18    -0.00  -0.01  -0.02
    24   1     0.10   0.12   0.22     0.06   0.45  -0.18     0.01   0.02   0.00
    25   1     0.06   0.23  -0.10     0.13   0.23   0.41     0.01   0.02   0.01
    26   1    -0.27  -0.29   0.02     0.38  -0.10   0.04    -0.00  -0.02   0.00
    27   1    -0.22   0.07   0.38    -0.23   0.18  -0.08    -0.02   0.01   0.01
    28   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.04   0.02   0.01
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.06   0.03
    32   1    -0.01  -0.00   0.00    -0.00   0.00   0.00     0.05   0.01  -0.04
    33   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.04  -0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.5510              1658.1575              1805.9216
 Red. masses --      5.9930                 5.7764                 9.5445
 Frc consts  --      9.2387                 9.3574                18.3401
 IR Inten    --      0.1196                 0.8116               271.8030
 RamAct Fr= 1--      1.9994               108.6301                11.9562
  Dep-P Fr= 1--      0.7063                 0.4947                 0.2060
  Dep-U Fr= 1--      0.8278                 0.6619                 0.3416
 Alpha2 Fr= 1--      0.0015                 0.5498                 0.1598
 Beta2  Fr= 1--      0.2759                11.9841                 0.6808
 AlphaG Fr= 1--     -0.0370                -0.3742                -0.4129
 Gamma2 Fr= 1--      0.1888                -3.7511                -1.6646
 Delta2 Fr= 1--     -0.1269                -0.1504                 0.9407
 Raman1 Fr= 1--       7.997                434.521                 47.825
 ROA1   Fr= 1--      14.069               -364.922               -129.700
 CID1   Fr= 1--       1.759                 -0.840                 -2.712
 Raman2 Fr= 1--       3.310                143.809                  8.169
 ROA2   Fr= 1--       5.547                -88.824                -47.477
 CID2   Fr= 1--       1.676                 -0.618                 -5.812
 Raman3 Fr= 1--       6.621                287.618                 16.338
 ROA3   Fr= 1--      14.069               -364.922               -129.700
 CID3   Fr= 1--       2.125                 -1.269                 -7.938
 RC180  Fr= 1--       0.656                  0.324                 -0.317
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.08   0.17     0.30  -0.05   0.03    -0.01   0.00  -0.00
     2   6    -0.03   0.12  -0.32    -0.21   0.02   0.03     0.00  -0.00   0.00
     3   6     0.07   0.06  -0.20    -0.27  -0.00   0.11     0.01  -0.00   0.00
     4   6     0.05  -0.12   0.32     0.19  -0.02  -0.02    -0.02   0.00  -0.00
     5   6    -0.12   0.08  -0.18    -0.28   0.05  -0.03     0.01  -0.00   0.00
     6   6    -0.08  -0.07   0.21     0.27   0.01  -0.11    -0.01   0.00   0.00
     7   6     0.00  -0.01   0.04     0.03  -0.01  -0.01    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.00    -0.01   0.04  -0.04
    12   6    -0.00  -0.01   0.00     0.00   0.00   0.02     0.25  -0.33   0.58
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.16   0.18  -0.38
    14   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.05
    15   1    -0.29   0.03   0.04    -0.31   0.11  -0.19     0.02  -0.00   0.00
    16   1    -0.30   0.02   0.05     0.26   0.07  -0.29     0.02  -0.02  -0.01
    17   1     0.31  -0.03  -0.04     0.29  -0.11   0.17    -0.02   0.01  -0.01
    18   1     0.31  -0.02  -0.06    -0.25  -0.07   0.27     0.00   0.00  -0.01
    19   1    -0.21  -0.02  -0.01     0.02   0.01  -0.01     0.00  -0.00   0.00
    20   1     0.20   0.04  -0.03     0.02   0.00   0.01    -0.00   0.00  -0.00
    21   1    -0.00   0.01  -0.01    -0.01  -0.04  -0.01     0.00   0.00   0.00
    22   1    -0.02   0.01  -0.00     0.01  -0.00  -0.01     0.00  -0.00   0.00
    23   1    -0.01  -0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
    24   1     0.01   0.01   0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01    -0.00  -0.00   0.00
    26   1     0.01   0.02  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    27   1     0.01  -0.01  -0.01     0.01  -0.01   0.00    -0.00  -0.00  -0.00
    28   1     0.28  -0.05   0.01    -0.02   0.01   0.00    -0.10   0.21   0.00
    29   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    30   1     0.00   0.01   0.01     0.00   0.00   0.01     0.10   0.16   0.43
    31   1     0.00  -0.02   0.02     0.00   0.02   0.02     0.02  -0.04   0.01
    32   1    -0.02  -0.00  -0.00     0.02   0.00  -0.00    -0.06  -0.04  -0.09
    33   1     0.02   0.02   0.01     0.02  -0.00  -0.00     0.02  -0.06   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.7917              3025.9174              3027.4211
 Red. masses --      1.0816                 1.0346                 1.0481
 Frc consts  --      5.7461                 5.5812                 5.6600
 IR Inten    --     21.6556                34.6655                41.7976
 RamAct Fr= 1--    148.6889                14.9280                59.1371
  Dep-P Fr= 1--      0.4676                 0.6794                 0.5482
  Dep-U Fr= 1--      0.6372                 0.8091                 0.7082
 Alpha2 Fr= 1--      0.8479                 0.0186                 0.2284
 Beta2  Fr= 1--     15.7907                 2.0131                 6.9798
 AlphaG Fr= 1--      0.0055                -0.0066                -0.0805
 Gamma2 Fr= 1--      0.2598                -1.4433                 2.6607
 Delta2 Fr= 1--     -1.2759                 1.1245                -0.4073
 Raman1 Fr= 1--     594.755                 59.712                236.548
 ROA1   Fr= 1--     -15.886               -102.572                242.398
 CID1   Fr= 1--      -0.027                 -1.718                  1.025
 Raman2 Fr= 1--     189.488                 24.157                 83.757
 ROA2   Fr= 1--      16.443                -43.635                 67.116
 CID2   Fr= 1--       0.087                 -1.806                  0.801
 Raman3 Fr= 1--     378.976                 48.314                167.514
 ROA3   Fr= 1--     -15.886               -102.572                242.398
 CID3   Fr= 1--      -0.042                 -2.123                  1.447
 RC180  Fr= 1--       0.274                  0.618                  0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.02  -0.04  -0.02
     8   6    -0.08   0.02   0.02    -0.00   0.00  -0.00     0.01  -0.00  -0.00
     9   6     0.01  -0.00   0.00     0.00   0.00   0.04    -0.00  -0.00  -0.02
    10   6     0.01   0.00  -0.00     0.01  -0.02   0.02     0.00  -0.02   0.02
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1    -0.03   0.03   0.18     0.01  -0.01  -0.03    -0.09   0.09   0.47
    20   1    -0.07   0.14  -0.10     0.02  -0.04   0.03    -0.17   0.37  -0.27
    21   1     0.91  -0.20  -0.19     0.01  -0.00  -0.00    -0.15   0.03   0.03
    22   1    -0.03  -0.04  -0.01    -0.26  -0.34  -0.09     0.14   0.18   0.05
    23   1    -0.01   0.04  -0.03    -0.14   0.38  -0.26     0.08  -0.22   0.15
    24   1    -0.08   0.02   0.02     0.39  -0.10  -0.09    -0.18   0.05   0.04
    25   1    -0.08   0.02   0.01    -0.33   0.09   0.07    -0.26   0.07   0.05
    26   1    -0.00   0.01   0.05     0.04  -0.09  -0.38     0.04  -0.08  -0.37
    27   1    -0.03  -0.04  -0.02     0.21   0.28   0.09     0.19   0.25   0.08
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    32   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.9260              3047.3602              3063.7286
 Red. masses --      1.0480                 1.0356                 1.1040
 Frc consts  --      5.6801                 5.6660                 6.1052
 IR Inten    --     18.8853                25.6057                18.0449
 RamAct Fr= 1--    550.7709               228.2629                59.4229
  Dep-P Fr= 1--      0.0104                 0.0620                 0.7500
  Dep-U Fr= 1--      0.0207                 0.1167                 0.8571
 Alpha2 Fr= 1--     11.9440                 4.3818                 0.0000
 Beta2  Fr= 1--      1.8985                 4.4402                 8.4890
 AlphaG Fr= 1--      0.2256                -0.2823                 0.0012
 Gamma2 Fr= 1--      0.2432                 1.0154                 0.7604
 Delta2 Fr= 1--     -0.3780                 3.8233                 1.3207
 Raman1 Fr= 1--    2203.083                913.052                237.691
 ROA1   Fr= 1--      11.248                219.825                115.264
 CID1   Fr= 1--       0.005                  0.241                  0.485
 Raman2 Fr= 1--      22.782                 53.282                101.868
 ROA2   Fr= 1--       8.860                 -6.216                  7.685
 CID2   Fr= 1--       0.389                 -0.117                  0.075
 Raman3 Fr= 1--      45.564                106.564                203.735
 ROA3   Fr= 1--      11.248                219.825                115.264
 CID3   Fr= 1--       0.247                  2.063                  0.566
 RC180  Fr= 1--      -0.959                 -0.767                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.04  -0.02     0.00  -0.00  -0.00    -0.01   0.03  -0.09
     8   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00   0.02    -0.00  -0.00   0.00     0.00  -0.01   0.00
    10   6    -0.01   0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.01   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.01   0.01  -0.01
    19   1    -0.08   0.08   0.45    -0.00   0.00   0.00    -0.13   0.14   0.68
    20   1    -0.17   0.36  -0.26    -0.00   0.00  -0.00     0.25  -0.54   0.37
    21   1    -0.18   0.04   0.04    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   1    -0.16  -0.20  -0.06    -0.00  -0.00  -0.00     0.03   0.03   0.01
    23   1    -0.08   0.23  -0.16    -0.00   0.00  -0.00    -0.01   0.04  -0.03
    24   1     0.28  -0.07  -0.07     0.00  -0.00  -0.00    -0.03   0.01   0.01
    25   1     0.30  -0.08  -0.06     0.00  -0.00  -0.00     0.03  -0.01  -0.00
    26   1    -0.03   0.07   0.31    -0.00   0.00   0.00     0.00  -0.01  -0.05
    27   1    -0.17  -0.22  -0.06    -0.00  -0.00  -0.00    -0.03  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.01  -0.01   0.04    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.03  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.01   0.00   0.00     0.66  -0.05  -0.14     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.19   0.54  -0.09    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00    -0.07  -0.11   0.44    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.4542              3085.7601              3088.3106
 Red. masses --      1.0840                 1.1020                 1.1008
 Frc consts  --      6.0212                 6.1823                 6.1860
 IR Inten    --      6.7738                15.1656                50.6078
 RamAct Fr= 1--     69.3714                42.2338               146.1163
  Dep-P Fr= 1--      0.2032                 0.7491                 0.6959
  Dep-U Fr= 1--      0.3377                 0.8566                 0.8207
 Alpha2 Fr= 1--      0.9342                 0.0006                 0.1381
 Beta2  Fr= 1--      3.9047                 6.0294                19.9859
 AlphaG Fr= 1--      0.0202                 0.0568                -0.1169
 Gamma2 Fr= 1--     -1.1124                -0.4101                -4.3233
 Delta2 Fr= 1--     -3.5463                 1.0090                -4.7738
 Raman1 Fr= 1--     277.486                168.935                584.465
 ROA1   Fr= 1--    -220.268                 -7.078               -567.803
 CID1   Fr= 1--      -0.794                 -0.042                 -0.971
 Raman2 Fr= 1--      46.857                 72.352                239.831
 ROA2   Fr= 1--       1.674                -17.913                -65.570
 CID2   Fr= 1--       0.036                 -0.248                 -0.273
 Raman3 Fr= 1--      93.714                144.705                479.662
 ROA3   Fr= 1--    -220.268                 -7.078               -567.803
 CID3   Fr= 1--      -2.350                 -0.049                 -1.184
 RC180  Fr= 1--      -0.325                  0.713                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.01   0.07  -0.01     0.00  -0.06   0.01
    10   6     0.00   0.00   0.00    -0.02  -0.04  -0.04    -0.01  -0.04  -0.05
    11   6     0.01   0.02  -0.08     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.01
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.01   0.01  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.01   0.01   0.06    -0.00   0.01   0.02
    20   1     0.00  -0.00   0.00     0.02  -0.05   0.03    -0.00   0.01  -0.01
    21   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01   0.01
    22   1     0.00   0.00   0.00    -0.32  -0.41  -0.12     0.26   0.32   0.10
    23   1     0.00  -0.00   0.00     0.15  -0.41   0.29    -0.14   0.37  -0.27
    24   1    -0.00   0.00   0.00     0.06   0.00  -0.02    -0.14   0.02   0.04
    25   1    -0.00   0.00   0.00    -0.03  -0.00  -0.00    -0.10   0.02   0.00
    26   1     0.00  -0.00  -0.00    -0.05   0.08   0.44    -0.06   0.10   0.52
    27   1    -0.00  -0.00  -0.00     0.28   0.36   0.10     0.31   0.40   0.11
    28   1    -0.17  -0.22   0.94    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.04  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1     0.03   0.04  -0.15     0.00   0.00  -0.00     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3091.7159              3096.8921              3111.0142
 Red. masses --      1.1017                 1.1008                 1.1023
 Frc consts  --      6.2046                 6.2203                 6.2857
 IR Inten    --      7.4794                76.2276                26.7324
 RamAct Fr= 1--     13.3600                67.5458               114.8208
  Dep-P Fr= 1--      0.7347                 0.4805                 0.6843
  Dep-U Fr= 1--      0.8470                 0.6491                 0.8126
 Alpha2 Fr= 1--      0.0035                 0.3643                 0.1327
 Beta2  Fr= 1--      1.8861                 7.3073                15.5501
 AlphaG Fr= 1--     -0.0744                -0.0139                 0.0735
 Gamma2 Fr= 1--      5.6009                -2.5673                 1.6714
 Delta2 Fr= 1--      1.5565                 1.0698                -5.1117
 Raman1 Fr= 1--      53.440                270.183                459.283
 ROA1   Fr= 1--     587.499               -212.226                 -3.122
 CID1   Fr= 1--      10.994                 -0.785                 -0.007
 Raman2 Fr= 1--      22.633                 87.688                186.601
 ROA2   Fr= 1--     121.971                -70.174                 81.007
 CID2   Fr= 1--       5.389                 -0.800                  0.434
 Raman3 Fr= 1--      45.266                175.376                373.202
 ROA3   Fr= 1--     587.499               -212.226                 -3.122
 CID3   Fr= 1--      12.979                 -1.210                 -0.008
 RC180  Fr= 1--       0.694                  0.298                  0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.07   0.01  -0.00    -0.06   0.00  -0.00     0.00   0.00   0.00
    10   6     0.06  -0.00  -0.02    -0.06  -0.01   0.02     0.00   0.00   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.01     0.00  -0.00   0.01    -0.00   0.00  -0.00
    19   1    -0.00   0.01   0.03     0.00  -0.00  -0.02    -0.00   0.00   0.00
    20   1     0.01  -0.02   0.02     0.01  -0.01   0.01    -0.00   0.00  -0.00
    21   1     0.01  -0.00  -0.00     0.16  -0.04  -0.03    -0.00   0.00   0.00
    22   1     0.18   0.26   0.07     0.19   0.27   0.08    -0.00  -0.00  -0.00
    23   1     0.05  -0.19   0.13     0.04  -0.14   0.09     0.00   0.00  -0.00
    24   1     0.58  -0.15  -0.15     0.51  -0.13  -0.14    -0.00   0.00   0.00
    25   1    -0.54   0.15   0.10     0.57  -0.16  -0.10    -0.00   0.00   0.00
    26   1    -0.01   0.05   0.25     0.01  -0.04  -0.19     0.00   0.00  -0.00
    27   1    -0.14  -0.20  -0.06     0.20   0.28   0.09    -0.00  -0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.02
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.03  -0.14
    32   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.20  -0.63   0.12
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.06  -0.19
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.9190              3161.7150              3167.3220
 Red. masses --      1.1014                 1.0868                 1.0871
 Frc consts  --      6.3569                 6.4007                 6.4257
 IR Inten    --     12.6711                11.0810                 8.4638
 RamAct Fr= 1--     30.1219                52.0386                56.0247
  Dep-P Fr= 1--      0.6681                 0.7268                 0.6474
  Dep-U Fr= 1--      0.8010                 0.8418                 0.7859
 Alpha2 Fr= 1--      0.0438                 0.0207                 0.1034
 Beta2  Fr= 1--      4.0215                 7.3011                 7.3388
 AlphaG Fr= 1--      0.0894                -0.0401                -0.1264
 Gamma2 Fr= 1--     -1.5598                 1.5157                -2.6568
 Delta2 Fr= 1--      2.6013                 0.4006                 1.4499
 Raman1 Fr= 1--     120.488                208.154                224.099
 ROA1   Fr= 1--     -66.496                158.324               -208.653
 CID1   Fr= 1--      -0.552                  0.761                 -0.931
 Raman2 Fr= 1--      48.258                 87.614                 88.065
 ROA2   Fr= 1--     -58.245                 33.171                -75.362
 CID2   Fr= 1--      -1.207                  0.379                 -0.856
 Raman3 Fr= 1--      96.515                175.227                176.130
 ROA3   Fr= 1--     -66.496                158.324               -208.653
 CID3   Fr= 1--      -0.689                  0.904                 -1.185
 RC180  Fr= 1--       0.602                  0.684                  0.572
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.06
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.02   0.03
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.02   0.02  -0.06    -0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.03  -0.02   0.04    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.01    -0.02  -0.01   0.04    -0.33  -0.22   0.75
    16   1    -0.02   0.01  -0.03    -0.02   0.01  -0.03    -0.30   0.18  -0.38
    17   1     0.01   0.01  -0.02    -0.30  -0.21   0.68     0.01   0.00  -0.02
    18   1     0.00  -0.00   0.00    -0.36   0.22  -0.46     0.05  -0.03   0.06
    19   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.02
    20   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    24   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    27   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    28   1    -0.02  -0.03   0.15    -0.01  -0.01   0.02     0.00   0.00  -0.00
    29   6     0.01   0.05  -0.08     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1    -0.19   0.02   0.02    -0.00   0.00   0.00     0.01  -0.00  -0.00
    32   1     0.15  -0.42   0.06     0.00  -0.00   0.00    -0.00   0.01  -0.00
    33   1    -0.13  -0.19   0.82    -0.00  -0.00   0.01     0.00   0.01  -0.03
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3178.7823              3185.4868              3723.6485
 Red. masses --      1.0936                 1.0937                 1.0639
 Frc consts  --      6.5106                 6.5389                 8.6917
 IR Inten    --     18.1419                 3.4109                62.4765
 RamAct Fr= 1--     99.2598               144.0377               112.3612
  Dep-P Fr= 1--      0.1409                 0.1253                 0.2379
  Dep-U Fr= 1--      0.2470                 0.2227                 0.3843
 Alpha2 Fr= 1--      1.5700                 2.3692                 1.3774
 Beta2  Fr= 1--      4.0869                 5.3466                 7.1968
 AlphaG Fr= 1--      0.5476                -0.5568                -0.4175
 Gamma2 Fr= 1--      4.1485                -0.8369                -5.7475
 Delta2 Fr= 1--      0.6111                -0.8348                 0.0187
 Raman1 Fr= 1--     397.039                576.151                449.445
 ROA1   Fr= 1--     417.812               -107.052               -551.161
 CID1   Fr= 1--       1.052                 -0.186                 -1.226
 Raman2 Fr= 1--      49.043                 64.159                 86.362
 ROA2   Fr= 1--      94.675                -13.407               -138.089
 CID2   Fr= 1--       1.930                 -0.209                 -1.599
 Raman3 Fr= 1--      98.085                128.317                172.723
 ROA3   Fr= 1--     417.812               -107.052               -551.161
 CID3   Fr= 1--       4.260                 -0.834                 -3.191
 RC180  Fr= 1--      -0.506                 -0.555                 -0.231
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.02   0.01  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.01  -0.01    -0.04   0.03  -0.05     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.02   0.01  -0.05    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.04   0.02  -0.05     0.01  -0.00   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.06   0.01
    15   1    -0.02  -0.01   0.05    -0.20  -0.14   0.46    -0.00  -0.00   0.00
    16   1     0.10  -0.06   0.13     0.48  -0.29   0.61     0.00   0.00  -0.00
    17   1    -0.25  -0.17   0.55     0.04   0.03  -0.09     0.00   0.00  -0.00
    18   1     0.44  -0.27   0.55    -0.08   0.05  -0.10    -0.00   0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    24   1    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.25   0.94  -0.22
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.01    -0.00  -0.01   0.02    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1525.328776240.173296479.96984
           X            0.99977   0.02139   0.00198
           Y           -0.02134   0.99956  -0.02054
           Z           -0.00242   0.02049   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05678     0.01388     0.01337
 Rotational constants (GHZ):           1.18318     0.28921     0.27851
 Zero-point vibrational energy     747039.7 (Joules/Mol)
                                  178.54677 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.48    53.94    69.11    83.01   130.92
          (Kelvin)            164.09   225.10   288.66   322.11   356.53
                              369.81   387.20   405.64   493.15   507.58
                              560.85   585.21   604.84   613.86   683.65
                              808.32   826.72   901.69   926.14   958.21
                             1018.95  1092.44  1130.24  1184.04  1197.46
                             1231.73  1234.10  1251.71  1295.97  1356.42
                             1379.47  1395.71  1401.09  1413.01  1460.01
                             1506.19  1559.36  1575.43  1587.85  1597.86
                             1649.17  1671.51  1731.09  1745.71  1760.45
                             1779.24  1790.79  1842.60  1884.34  1884.64
                             1941.94  1965.83  1978.88  1997.19  2003.48
                             2022.12  2037.48  2050.38  2101.89  2142.78
                             2143.65  2146.92  2155.07  2156.57  2170.77
                             2176.46  2232.86  2327.30  2385.72  2598.32
                             4320.35  4353.62  4355.78  4363.70  4384.47
                             4408.02  4417.70  4439.72  4443.39  4448.29
                             4455.74  4476.06  4503.26  4549.00  4557.07
                             4573.56  4583.21  5357.50
 
 Zero-point correction=                           0.284532 (Hartree/Particle)
 Thermal correction to Energy=                    0.300060
 Thermal correction to Enthalpy=                  0.301004
 Thermal correction to Gibbs Free Energy=         0.240320
 Sum of electronic and zero-point Energies=           -656.739078
 Sum of electronic and thermal Energies=              -656.723551
 Sum of electronic and thermal Enthalpies=            -656.722607
 Sum of electronic and thermal Free Energies=         -656.783291
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.290             58.557            127.720
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.489
 Vibrational            186.513             52.596             53.357
 Vibration     1          0.593              1.985              6.218
 Vibration     2          0.594              1.982              5.388
 Vibration     3          0.595              1.978              4.897
 Vibration     4          0.596              1.974              4.534
 Vibration     5          0.602              1.956              3.639
 Vibration     6          0.607              1.938              3.199
 Vibration     7          0.620              1.895              2.592
 Vibration     8          0.638              1.839              2.127
 Vibration     9          0.649              1.805              1.927
 Vibration    10          0.661              1.766              1.746
 Vibration    11          0.667              1.751              1.682
 Vibration    12          0.674              1.730              1.602
 Vibration    13          0.681              1.707              1.522
 Vibration    14          0.722              1.590              1.199
 Vibration    15          0.729              1.570              1.154
 Vibration    16          0.758              1.492              1.001
 Vibration    17          0.772              1.456              0.938
 Vibration    18          0.783              1.426              0.891
 Vibration    19          0.788              1.412              0.870
 Vibration    20          0.832              1.305              0.723
 Vibration    21          0.918              1.114              0.520
 Vibration    22          0.931              1.086              0.495
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.288683-110       -110.539579       -254.526787
 Total V=0       0.216829D+21         20.336117         46.825640
 Vib (Bot)       0.882757-125       -125.054159       -287.947842
 Vib (Bot)    1  0.839749D+01          0.924149          2.127933
 Vib (Bot)    2  0.551996D+01          0.741936          1.708371
 Vib (Bot)    3  0.430461D+01          0.633934          1.459686
 Vib (Bot)    4  0.357998D+01          0.553881          1.275357
 Vib (Bot)    5  0.225915D+01          0.353945          0.814989
 Vib (Bot)    6  0.179428D+01          0.253889          0.584601
 Vib (Bot)    7  0.129357D+01          0.111791          0.257409
 Vib (Bot)    8  0.993612D+00         -0.002783         -0.006409
 Vib (Bot)    9  0.882076D+00         -0.054494         -0.125477
 Vib (Bot)   10  0.788433D+00         -0.103235         -0.237708
 Vib (Bot)   11  0.756781D+00         -0.121030         -0.278681
 Vib (Bot)   12  0.718444D+00         -0.143607         -0.330667
 Vib (Bot)   13  0.681236D+00         -0.166702         -0.383847
 Vib (Bot)   14  0.540797D+00         -0.266966         -0.614712
 Vib (Bot)   15  0.522029D+00         -0.282305         -0.650031
 Vib (Bot)   16  0.460623D+00         -0.336655         -0.775176
 Vib (Bot)   17  0.436028D+00         -0.360486         -0.830049
 Vib (Bot)   18  0.417564D+00         -0.379277         -0.873317
 Vib (Bot)   19  0.409451D+00         -0.387798         -0.892938
 Vib (Bot)   20  0.353436D+00         -0.451689         -1.040053
 Vib (Bot)   21  0.276158D+00         -0.558842         -1.286782
 Vib (Bot)   22  0.266627D+00         -0.574095         -1.321903
 Vib (V=0)       0.663036D+06          5.821537         13.404585
 Vib (V=0)    1  0.891236D+01          0.949993          2.187439
 Vib (V=0)    2  0.604256D+01          0.781221          1.798828
 Vib (V=0)    3  0.483355D+01          0.684266          1.575581
 Vib (V=0)    4  0.411473D+01          0.614341          1.414573
 Vib (V=0)    5  0.281382D+01          0.449296          1.034543
 Vib (V=0)    6  0.236264D+01          0.373397          0.859779
 Vib (V=0)    7  0.188684D+01          0.275736          0.634905
 Vib (V=0)    8  0.161232D+01          0.207452          0.477677
 Vib (V=0)    9  0.151393D+01          0.180106          0.414710
 Vib (V=0)   10  0.143361D+01          0.156431          0.360195
 Vib (V=0)   11  0.140704D+01          0.148306          0.341487
 Vib (V=0)   12  0.137531D+01          0.138400          0.318677
 Vib (V=0)   13  0.134503D+01          0.128733          0.296419
 Vib (V=0)   14  0.123652D+01          0.092201          0.212301
 Vib (V=0)   15  0.122285D+01          0.087374          0.201186
 Vib (V=0)   16  0.117983D+01          0.071821          0.165373
 Vib (V=0)   17  0.116342D+01          0.065735          0.151360
 Vib (V=0)   18  0.115143D+01          0.061237          0.141004
 Vib (V=0)   19  0.114626D+01          0.059283          0.136503
 Vib (V=0)   20  0.111230D+01          0.046224          0.106434
 Vib (V=0)   21  0.107119D+01          0.029868          0.068774
 Vib (V=0)   22  0.106665D+01          0.028021          0.064521
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.281133D+07          6.448912         14.849169
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665554444444443333333222222111100009999998888877766655444433322222211     
     2        87663199887643220                           051510999986210987651184321064109841877540755328506427672209548654205195432
     4        59720172860473763                           688239982091565285600015743326145475240931086236986475257070332978416418875
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X XXXXXXXXXXXXXXXXXX XXXXXXXXXXX XXXX
     X             XX X   X XXX                           X  X           X            XX X X        X      X XXXX                    
     X              X X     XX                            X              X            XX X X               X  XX                     
     X              X X                                   X                           X    X                                         
     X              X                                     X                           X                                              
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002700   -0.000000405    0.000001092
      2        6           0.000001237    0.000003018   -0.000005361
      3        6           0.000000234   -0.000000515    0.000000826
      4        6          -0.000015854   -0.000002116    0.000005902
      5        6           0.000007750   -0.000004050   -0.000000903
      6        6          -0.000006593    0.000000545    0.000003350
      7        6          -0.000006712    0.000006523    0.000004967
      8        6          -0.000004530    0.000001275    0.000001615
      9        6           0.000004080   -0.000004027   -0.000012761
     10        6           0.000004161   -0.000010994    0.000003978
     11        6           0.000029668    0.000004342   -0.000000610
     12        6          -0.000007416    0.000002545    0.000004038
     13        8           0.000001254   -0.000000520   -0.000003365
     14        8           0.000000324   -0.000006314   -0.000004531
     15        1           0.000000299   -0.000002215    0.000000615
     16        1          -0.000000765    0.000000864    0.000001066
     17        1          -0.000000937    0.000003315   -0.000000179
     18        1           0.000000372    0.000001211   -0.000001255
     19        1           0.000001962   -0.000003538   -0.000000475
     20        1           0.000002378   -0.000003105   -0.000001875
     21        1           0.000004131    0.000004194    0.000001038
     22        1          -0.000001097    0.000001730    0.000000018
     23        1          -0.000001506    0.000000662    0.000000570
     24        1          -0.000001499    0.000003211    0.000004080
     25        1          -0.000001511    0.000003334   -0.000002528
     26        1          -0.000001485   -0.000001268   -0.000001264
     27        1          -0.000001114    0.000001344   -0.000000962
     28        1          -0.000005019    0.000000639    0.000003479
     29        6           0.000002628   -0.000006374   -0.000006008
     30        1          -0.000001168    0.000005075   -0.000001348
     31        1          -0.000003043   -0.000000872    0.000000886
     32        1          -0.000001601    0.000000940    0.000003482
     33        1          -0.000001327    0.000001549    0.000002424
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000029668 RMS     0.000004878
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.211718D+03 -0.526203D+00  0.181552D+01
      2  -0.526203D+00  0.139800D+03 -0.787677D+01
      3   0.181552D+01 -0.787677D+01  0.155471D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.101259D+02 -0.814751D+01  0.233412D+02
      2   0.256668D+01 -0.747888D+01  0.514385D+02
      3  -0.113147D+03 -0.372208D+02  0.140561D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.163563D+03  0.523472D+02 -0.243195D+02
      2  -0.911944D+02 -0.329992D+02  0.364874D+02
      3  -0.723686D+02 -0.193480D+02 -0.121679D+02
      4  -0.329046D+02  0.758519D+02 -0.154370D+02
      5  -0.280865D+02 -0.222043D+02  0.114246D+03
      6   0.198060D+01  0.200635D+02 -0.310873D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.978103D+01  0.266616D+00  0.669627D+00  0.537308D+01  0.207791D+01
      2   0.266616D+00  0.142715D+01 -0.215134D-01  0.207791D+01  0.187120D+01
      3   0.669627D+00 -0.215134D-01  0.121573D+01 -0.423548D+00 -0.265190D+01
                 6             7             8             9            10 
      1  -0.423548D+00 -0.874260D+01  0.306610D+00 -0.443659D+00  0.284138D+02
      2  -0.265190D+01  0.306610D+00 -0.140457D+01 -0.108183D+01  0.170156D+01
      3  -0.212187D+01 -0.443659D+00 -0.108183D+01 -0.178731D+01 -0.130016D+01
                11            12            13            14            15 
      1   0.170156D+01 -0.130016D+01 -0.254184D+00  0.397665D+01  0.123523D+01
      2   0.205482D+01 -0.686644D+00  0.397665D+01 -0.110671D+01 -0.113944D+00
      3  -0.686644D+00  0.292828D+01  0.123523D+01 -0.113944D+00 -0.100766D+01
                16            17            18            19            20 
      1  -0.375903D+01  0.118818D+01  0.124606D+01  0.718884D+01 -0.439532D+00
      2   0.118818D+01  0.157442D-01 -0.944508D+00 -0.439532D+00 -0.123368D+01
      3   0.124606D+01 -0.944508D+00 -0.338265D+00 -0.572400D+00 -0.555444D+00
                21            22            23            24            25 
      1  -0.572400D+00  0.336340D+01 -0.149935D+01 -0.116714D+01 -0.120262D+02
      2  -0.555444D+00 -0.149935D+01  0.252744D+01 -0.204939D+01 -0.514930D-01
      3  -0.297321D+01 -0.116714D+01 -0.204939D+01 -0.104164D+01  0.461402D+00
                26            27            28            29            30 
      1  -0.514930D-01  0.461402D+00 -0.250828D+02 -0.504800D+00  0.109202D+01
      2  -0.863082D+00 -0.820227D+00 -0.504800D+00 -0.166483D+01  0.164399D+00
      3  -0.820227D+00 -0.140671D+01  0.109202D+01  0.164399D+00 -0.269102D+01
                31            32            33            34            35 
      1   0.254634D+01 -0.441921D+01 -0.137227D+01  0.285696D+01 -0.136369D+01
      2  -0.441921D+01  0.842365D+00  0.447198D+00 -0.136369D+01  0.781885D-01
      3  -0.137227D+01  0.447198D+00  0.171337D+00 -0.743143D+00 -0.772493D+00
                36            37            38            39            40 
      1  -0.743143D+00  0.114165D+02 -0.540381D+00 -0.980337D+00 -0.433768D+01
      2  -0.772493D+00 -0.540381D+00 -0.250839D+01  0.130264D+01 -0.156832D+01
      3   0.892751D+00 -0.980337D+00  0.130264D+01 -0.168276D+01 -0.761498D-02
                41            42            43            44            45 
      1  -0.156832D+01 -0.761498D-02  0.981508D+01 -0.156400D+01  0.489541D+00
      2  -0.265526D+01  0.225807D+01 -0.156400D+01  0.137162D+01  0.136480D+01
      3   0.225807D+01  0.206287D+01  0.489541D+00  0.136480D+01  0.152972D+01
                46            47            48            49            50 
      1  -0.849303D+01  0.688469D+00  0.732545D+00 -0.187310D+01  0.134426D+01
      2   0.688469D+00  0.183321D+01 -0.501301D+00  0.134426D+01 -0.361373D+01
      3   0.732545D+00 -0.501301D+00  0.315224D+01  0.185546D+01  0.194774D+01
                51            52            53            54            55 
      1   0.185546D+01  0.121271D+02  0.147448D+01 -0.815007D+00 -0.132964D+02
      2   0.194774D+01  0.147448D+01 -0.320322D-01  0.142105D+01 -0.294768D+01
      3   0.947316D+00 -0.815007D+00  0.142105D+01  0.713360D+00 -0.613005D+00
                56            57            58            59            60 
      1  -0.294768D+01 -0.613005D+00 -0.665517D+01 -0.718449D+01 -0.381843D+00
      2  -0.417076D+01 -0.713196D-01 -0.718449D+01  0.409935D+00 -0.214251D+01
      3  -0.713196D-01 -0.154176D+01 -0.381843D+00 -0.214251D+01  0.167358D+01
                61            62            63            64            65 
      1  -0.166325D+01 -0.489400D+00 -0.322751D+01 -0.474317D+01  0.479799D+01
      2  -0.489400D+00 -0.275407D+01  0.292969D+01  0.479799D+01  0.336971D+01
      3  -0.322751D+01  0.292969D+01  0.503001D+01  0.271077D+01 -0.273446D+00
                66            67            68            69            70 
      1   0.271077D+01  0.128099D+02  0.522435D+01 -0.114919D+00  0.551069D+01
      2  -0.273446D+00  0.522435D+01  0.152009D+01  0.347923D+01  0.597395D+00
      3   0.772140D+00 -0.114919D+00  0.347923D+01 -0.263744D+01  0.411091D-01
                71            72            73            74            75 
      1   0.597395D+00  0.411091D-01  0.293108D+01 -0.362593D+01 -0.278728D+01
      2   0.350513D+01 -0.240366D+01 -0.362593D+01 -0.354775D+01 -0.167546D+00
      3  -0.240366D+01 -0.462779D+01 -0.278728D+01 -0.167546D+00 -0.148023D+01
                76            77            78            79            80 
      1  -0.516074D+01 -0.467718D+01 -0.275507D-01 -0.317897D+01  0.219268D+00
      2  -0.467718D+01 -0.927975D+00 -0.452553D+01  0.219268D+00 -0.330187D+01
      3  -0.275507D-01 -0.452553D+01  0.274065D+01 -0.318348D+00  0.241054D+01
                81            82            83            84            85 
      1  -0.318348D+00  0.343544D+01 -0.414011D+01 -0.153026D+01 -0.555781D+01
      2   0.241054D+01 -0.414011D+01 -0.402305D+01  0.343176D+00 -0.387700D+01
      3   0.272439D+01 -0.153026D+01  0.343176D+00 -0.840034D+00 -0.154721D+00
                86            87            88            89            90 
      1  -0.387700D+01 -0.154721D+00 -0.216185D+01 -0.832571D+00 -0.688880D+00
      2  -0.241335D+01 -0.261888D+01 -0.832571D+00 -0.336383D+01  0.180798D+01
      3  -0.261888D+01  0.290419D+01 -0.688880D+00  0.180798D+01  0.640233D+01
                91            92            93            94            95 
      1   0.385816D+01  0.271183D+01  0.583788D+00  0.446838D+00  0.534382D+01
      2   0.271183D+01  0.198731D+01  0.998830D+00  0.534382D+01 -0.367369D+01
      3   0.583788D+00  0.998830D+00  0.143785D+01  0.173157D+01 -0.325369D-01
                96            97            98            99           100 
      1   0.173157D+01  0.390614D+01  0.160013D+01  0.202239D+01  0.201633D+01
      2  -0.325369D-01  0.160013D+01  0.199058D+01  0.194730D+01 -0.135826D+01
      3   0.149536D+01  0.202239D+01  0.194730D+01 -0.436320D+01  0.144862D+01
               101           102           103           104           105 
      1  -0.135826D+01  0.144862D+01 -0.997411D+00 -0.638520D+00 -0.140287D+01
      2  -0.419648D-01 -0.868789D+00 -0.638520D+00  0.352919D+01  0.253452D+00
      3  -0.868789D+00  0.264859D+00 -0.140287D+01  0.253452D+00 -0.124405D+01
               106           107           108           109           110 
      1   0.199888D+01 -0.209608D+01  0.106980D+01 -0.494058D+01  0.200608D+01
      2  -0.209608D+01  0.122254D+01 -0.228678D+01  0.200608D+01 -0.139924D+01
      3   0.106980D+01 -0.228678D+01  0.295516D+01 -0.337214D+01  0.699700D+00
               111           112           113           114           115 
      1  -0.337214D+01  0.264501D+01 -0.238599D+01  0.128130D+01 -0.669075D+01
      2   0.699700D+00 -0.238599D+01  0.252130D+01 -0.230908D+01  0.261023D+01
      3  -0.177528D+01  0.128130D+01 -0.230908D+01  0.196735D+01 -0.298608D+01
               116           117           118           119           120 
      1   0.261023D+01 -0.298608D+01  0.105135D+01  0.128609D-01  0.127776D+01
      2  -0.393041D+01  0.203692D+01  0.128609D-01  0.202026D+01  0.411108D+00
      3   0.203692D+01 -0.724688D+01  0.127776D+01  0.411108D+00  0.298513D+00
               121           122           123           124           125 
      1  -0.394396D+00  0.193845D+01  0.185384D+00  0.277552D+01 -0.105498D+01
      2   0.193845D+01 -0.532849D+01  0.799759D+00 -0.105498D+01  0.288987D+01
      3   0.185384D+00  0.799759D+00  0.763206D-01 -0.776630D+00  0.250143D+01
               126           127           128           129           130 
      1  -0.776630D+00  0.214724D+01  0.734319D+00 -0.191554D+01  0.435639D+00
      2   0.250143D+01  0.734319D+00  0.371390D+00 -0.354565D+00  0.247254D+00
      3   0.450957D+01 -0.191554D+01 -0.354565D+00  0.191730D+01 -0.621871D+00
               131           132           133           134           135 
      1   0.247254D+00 -0.621871D+00 -0.219592D+01 -0.898054D+00  0.267117D+01
      2   0.476296D+00 -0.654580D+00 -0.898054D+00 -0.116250D+01  0.159255D+01
      3  -0.654580D+00  0.206796D+01  0.267117D+01  0.159255D+01 -0.711916D+01
               136           137           138           139           140 
      1  -0.390032D+01  0.123036D+01 -0.193430D+01  0.174349D+01 -0.626170D+00
      2   0.123036D+01 -0.820421D+00  0.622453D+00 -0.626170D+00  0.664119D+00
      3  -0.193430D+01  0.622453D+00 -0.172537D+01  0.113730D+01 -0.667215D+00
               141           142           143           144           145 
      1   0.113730D+01 -0.230538D+01  0.883429D+00 -0.249028D+01 -0.208576D+01
      2  -0.667215D+00  0.883429D+00 -0.122545D+01  0.149917D+01 -0.647108D+00
      3   0.171787D+01 -0.249028D+01  0.149917D+01 -0.439351D+01  0.209091D+01
               146           147           148           149           150 
      1  -0.647108D+00  0.209091D+01 -0.393150D+00 -0.206476D+00  0.704823D+00
      2  -0.375012D+00  0.632420D+00 -0.206476D+00 -0.641347D+00  0.918376D+00
      3   0.632420D+00 -0.221396D+01  0.704823D+00  0.918376D+00 -0.242120D+01
               151           152           153           154           155 
      1   0.204408D+01  0.104669D+01 -0.269682D+01  0.383160D+01 -0.104497D+01
      2   0.104669D+01  0.161521D+01 -0.244329D+01 -0.104497D+01  0.106023D+01
      3  -0.269682D+01 -0.244329D+01  0.741204D+01  0.251992D+01 -0.101338D+01
               156           157           158           159           160 
      1   0.251992D+01 -0.167999D+01  0.890173D+00 -0.138819D+01  0.253240D+01
      2  -0.101338D+01  0.890173D+00 -0.948239D+00  0.105888D+01 -0.125621D+01
      3   0.213264D+01 -0.138819D+01  0.105888D+01 -0.203336D+01  0.279550D+01
               161           162           163           164           165 
      1  -0.125621D+01  0.279550D+01  0.148437D+01 -0.443060D+00 -0.169827D+01
      2   0.176788D+01 -0.212688D+01 -0.443060D+00  0.912362D+00  0.495929D+00
      3  -0.212688D+01  0.474276D+01 -0.169827D+01  0.495929D+00  0.138928D+01
               166           167           168           169           170 
      1   0.101572D+01  0.152703D+01  0.498837D+00 -0.428025D+01  0.678054D+00
      2   0.152703D+01 -0.119780D+01 -0.127681D+01  0.678054D+00 -0.179759D+01
      3   0.498837D+00 -0.127681D+01 -0.134032D+01  0.296859D+01 -0.257052D+01
               171           172           173           174           175 
      1   0.296859D+01  0.327107D+01 -0.196039D+01  0.108325D+01 -0.264483D+01
      2  -0.257052D+01 -0.196039D+01  0.246000D+01 -0.401433D+00  0.331450D+01
      3  -0.690212D+01  0.108325D+01 -0.401433D+00  0.636434D+00 -0.564273D+00
               176           177           178           179           180 
      1   0.331450D+01 -0.564273D+00  0.413422D+01 -0.878637D+00  0.121335D+01
      2  -0.580085D+01  0.144767D+01 -0.878637D+00  0.269177D+01 -0.164363D+01
      3   0.144767D+01 -0.110309D+01  0.121335D+01 -0.164363D+01  0.873294D+00
               181           182           183           184           185 
      1   0.134698D+02 -0.161095D+01 -0.178899D+01 -0.324666D+01  0.123136D+01
      2  -0.161095D+01  0.111625D+01  0.227544D+00  0.123136D+01 -0.103234D+01
      3  -0.178899D+01  0.227544D+00  0.139818D+01  0.212365D+00 -0.729851D+00
               186           187           188           189           190 
      1   0.212365D+00 -0.239555D+01  0.742941D-01  0.201624D+01  0.442379D+01
      2  -0.729851D+00  0.742941D-01 -0.789359D+00  0.519108D-01  0.322011D+01
      3  -0.126417D+00  0.201624D+01  0.519108D-01 -0.346675D+00  0.231836D+01
               191           192           193           194           195 
      1   0.322011D+01  0.231836D+01  0.397109D+01  0.389921D+01  0.191403D+01
      2   0.296219D+01  0.132235D+01  0.389921D+01  0.511510D+01  0.266538D+01
      3   0.132235D+01  0.194335D+01  0.191403D+01  0.266538D+01  0.207977D+01
               196           197           198           199           200 
      1   0.140772D+01  0.956332D+00  0.163100D+01  0.132993D+01 -0.768904D+00
      2   0.956332D+00  0.142849D+01  0.126907D+01 -0.768904D+00  0.132528D+01
      3   0.163100D+01  0.126907D+01  0.142896D+01  0.166802D+01 -0.680128D+00
               201           202           203           204           205 
      1   0.166802D+01 -0.149115D+01  0.140738D+01 -0.130459D+01  0.161634D+01
      2  -0.680128D+00  0.140738D+01 -0.359581D+01  0.271534D+01 -0.703160D+00
      3   0.156053D+01 -0.130459D+01  0.271534D+01 -0.354279D+01  0.159459D+01
               206           207           208           209           210 
      1  -0.703160D+00  0.159459D+01 -0.677522D+01  0.470098D+00  0.797494D+00
      2   0.213079D+01 -0.219572D+01  0.470098D+00 -0.117128D+01 -0.740946D+00
      3  -0.219572D+01  0.395012D+01  0.797494D+00 -0.740946D+00 -0.195080D+01
               211           212           213           214           215 
      1   0.486665D+00 -0.661162D+00 -0.671083D+00  0.809139D+00 -0.429111D+00
      2  -0.661162D+00  0.902522D+00  0.890857D+00 -0.429111D+00  0.672384D+00
      3  -0.671083D+00  0.890857D+00  0.412269D+00 -0.961795D+00  0.119933D+00
               216           217           218           219           220 
      1  -0.961795D+00 -0.698664D+01  0.683212D+00  0.713180D+00  0.570370D+00
      2   0.119933D+00  0.683212D+00 -0.210513D+01  0.327951D+00 -0.129297D+01
      3   0.110828D+01  0.713180D+00  0.327951D+00 -0.108427D+01  0.193605D+00
               221           222           223           224           225 
      1  -0.129297D+01  0.193605D+00  0.934957D+00 -0.975382D-01 -0.582179D+00
      2   0.142458D+01  0.278854D+00 -0.975382D-01  0.770420D+00  0.155972D+00
      3   0.278854D+00  0.152225D+00 -0.582179D+00  0.155972D+00 -0.368255D+00
               226           227           228           229           230 
      1   0.259179D+00  0.414698D+00 -0.117776D+01  0.339139D-01  0.404100D+00
      2   0.414698D+00  0.587708D+00 -0.107571D+00  0.404100D+00 -0.414824D-01
      3  -0.117776D+01 -0.107571D+00  0.100013D+01  0.260024D-01 -0.723979D+00
               231           232           233           234           235 
      1   0.260024D-01 -0.148325D+01 -0.331059D+00  0.132903D+01  0.387350D+01
      2  -0.723979D+00 -0.331059D+00 -0.130321D+01  0.453713D+00  0.382299D+01
      3  -0.108451D+01  0.132903D+01  0.453713D+00 -0.917683D+01  0.213682D-01
               236           237           238           239           240 
      1   0.382299D+01  0.213682D-01  0.360514D+01  0.443860D+01 -0.131097D+00
      2   0.421572D+01 -0.212069D+00  0.443860D+01  0.751292D+01 -0.152476D-01
      3  -0.212069D+00  0.950317D+00 -0.131097D+00 -0.152476D-01  0.707859D+00
               241           242           243           244           245 
      1   0.103396D+01  0.762546D+00  0.876621D+00  0.295454D+00 -0.872181D+00
      2   0.762546D+00  0.158805D+01  0.781587D+00 -0.872181D+00 -0.484494D+00
      3   0.876621D+00  0.781587D+00 -0.222437D+00  0.143722D+01  0.967572D-01
               246           247           248           249           250 
      1   0.143722D+01 -0.131197D+01 -0.101448D+01  0.200894D+00  0.252262D+01
      2   0.967572D-01 -0.101448D+01 -0.591481D+00  0.113534D+01  0.211508D+00
      3  -0.117564D+01  0.200894D+00  0.113534D+01 -0.127017D+01 -0.195770D+01
               251           252           253           254           255 
      1   0.211508D+00 -0.195770D+01  0.828482D+01 -0.752673D+00 -0.206084D+01
      2   0.141708D+01 -0.107021D+01 -0.752673D+00 -0.351996D+01 -0.825335D+00
      3  -0.107021D+01  0.619738D+01 -0.206084D+01 -0.825335D+00 -0.110591D+01
               256           257           258           259           260 
      1  -0.496565D+01 -0.367024D+01 -0.118630D+01 -0.647674D+01 -0.151003D+01
      2  -0.367024D+01  0.418440D+01 -0.131824D+01 -0.151003D+01 -0.251375D+01
      3  -0.118630D+01 -0.131824D+01 -0.185807D+01 -0.157548D+01 -0.147708D+01
               261           262           263           264           265 
      1  -0.157548D+01 -0.925844D+00  0.133499D+01  0.450771D+00  0.157482D+01
      2  -0.147708D+01  0.133499D+01 -0.181527D+01 -0.430176D+00 -0.257532D+01
      3   0.384083D+01  0.450771D+00 -0.430176D+00 -0.387244D+00 -0.493076D+00
               266           267           268           269           270 
      1  -0.257532D+01 -0.493076D+00 -0.232614D+00  0.484215D+00 -0.204436D+00
      2   0.901962D+01  0.172347D+01  0.484215D+00 -0.129972D+01  0.519463D+00
      3   0.172347D+01  0.157067D+01 -0.204436D+00  0.519463D+00  0.402268D+00
               271           272           273           274           275 
      1  -0.153251D+02 -0.184914D+01  0.386851D+00  0.597901D+00 -0.114983D+01
      2  -0.184914D+01 -0.132773D+01 -0.109811D+00 -0.114983D+01 -0.469000D+00
      3   0.386851D+00 -0.109811D+00 -0.102881D+01  0.958141D-01  0.245721D+00
               276           277           278           279           280 
      1   0.958141D-01  0.240781D+01  0.468192D+00 -0.127096D+01 -0.576206D-01
      2   0.245721D+00  0.468192D+00  0.644301D+00  0.435107D-02 -0.866452D+00
      3   0.284472D+00 -0.127096D+01  0.435107D-02  0.594597D-01  0.352346D+00
               281           282           283           284           285 
      1  -0.866452D+00  0.352346D+00 -0.139955D+01 -0.205427D+00 -0.294047D-01
      2   0.201056D+01  0.207269D+00 -0.205427D+00 -0.872915D+01  0.115303D-01
      3   0.207269D+00  0.396603D+00 -0.294047D-01  0.115303D-01 -0.894294D+00
               286           287           288           289           290 
      1   0.103169D+01  0.290276D+00  0.802560D-01 -0.588723D+00  0.276338D+00
      2   0.290276D+00  0.119774D+01 -0.841326D+00  0.276338D+00  0.494827D+00
      3   0.802560D-01 -0.841326D+00 -0.134838D+00 -0.623546D+00  0.168890D+00
               291           292           293           294           295 
      1  -0.623546D+00  0.114412D+01  0.387124D+00  0.169747D+00 -0.187297D+01
      2   0.168890D+00  0.387124D+00  0.245621D+00 -0.447169D+00 -0.295793D+00
      3   0.261948D+00  0.169747D+00 -0.447169D+00  0.694823D+00 -0.767730D+00
               296           297 
      1  -0.295793D+00 -0.767730D+00
      2  -0.125633D+01 -0.189277D+00
      3  -0.189277D+00 -0.633872D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.244582D+01 -0.219439D+01  0.131776D+01 -0.709742D+01 -0.177096D+01
      2   0.322347D+01 -0.240738D+01  0.943104D+01 -0.195265D+01  0.198914D+01
      3   0.171209D+02 -0.133224D+01  0.273246D+01  0.716499D+01 -0.142530D+01
                 6             7             8             9            10 
      1  -0.249058D+01 -0.760681D+00  0.232399D+01  0.190427D+00 -0.388358D+01
      2  -0.320481D+01 -0.491055D+01 -0.125584D+01  0.196097D+01 -0.426124D+00
      3   0.249870D+01  0.135858D+02  0.615354D+00  0.255988D+01 -0.343651D+02
                11            12            13            14            15 
      1  -0.670417D+00  0.136415D+01  0.262595D+01  0.415274D+01 -0.839096D+01
      2   0.637151D+00 -0.188201D+01  0.417595D+01  0.316175D+00  0.226753D+00
      3  -0.204064D+01  0.125246D+01  0.107391D+02 -0.197688D+01 -0.107393D+01
                16            17            18            19            20 
      1  -0.381466D+01 -0.252842D+01 -0.469289D+01 -0.723311D+00  0.127532D+01
      2  -0.211017D+02 -0.146509D+01 -0.397907D+01 -0.388226D+01 -0.234310D+01
      3   0.967779D+00 -0.118631D+01 -0.791285D+00 -0.947441D+01 -0.173786D+01
                21            22            23            24            25 
      1  -0.131314D+01  0.541423D+01 -0.237246D+01 -0.348061D+01  0.492822D+01
      2   0.369428D+01 -0.370159D+01 -0.187677D+01  0.737399D+00 -0.287401D+01
      3   0.300803D+01  0.804600D+01  0.106321D+01 -0.223694D+01  0.163239D+02
                26            27            28            29            30 
      1   0.200646D+01 -0.160307D+01  0.186904D+01  0.701981D+00 -0.302224D+01
      2   0.993012D+00 -0.119327D+01  0.401687D+00  0.210974D+01 -0.288347D+01
      3  -0.793429D+00 -0.445341D+01  0.265022D+02  0.746355D+00 -0.264160D+01
                31            32            33            34            35 
      1  -0.116337D+01  0.494239D+01 -0.777114D+01 -0.581940D+01 -0.175592D+01
      2   0.398191D+01 -0.426343D+00  0.282529D+01 -0.227742D+02  0.326950D+01
      3   0.821538D+01  0.553178D+01  0.757960D+00 -0.544912D+01 -0.213368D+01
                36            37            38            39            40 
      1  -0.306231D+01 -0.292748D+01 -0.653466D+00 -0.116494D+01 -0.486990D+01
      2  -0.609239D+00 -0.202355D+01 -0.249465D+01  0.838608D+01 -0.275971D+01
      3   0.303524D+01 -0.132638D+02 -0.187113D+00  0.267566D+01  0.148745D+02
                41            42            43            44            45 
      1   0.114331D+01  0.568302D+00 -0.183841D+01  0.420614D+01  0.259702D+01
      2   0.162274D+01 -0.225757D+01 -0.727361D+01 -0.802705D+00  0.151204D+01
      3  -0.703502D+00  0.188094D+01 -0.979308D+01  0.367402D+01  0.863833D+00
                46            47            48            49            50 
      1   0.242706D+01  0.178752D+01  0.278603D+01  0.895002D+01  0.126553D+01
      2  -0.534705D+00 -0.227444D+01  0.324263D+01 -0.342249D+01 -0.181930D+01
      3   0.138239D+02 -0.200566D+01 -0.445425D+00  0.125859D+02  0.201333D+01
                51            52            53            54            55 
      1  -0.256418D+01  0.205808D+01  0.356819D+01  0.146376D+00  0.186569D+01
      2   0.689496D+00 -0.466378D+01  0.584972D+00  0.437093D+00 -0.724232D+01
      3  -0.477643D+01 -0.126102D+02 -0.221464D+01 -0.976499D+00  0.236480D+02
                56            57            58            59            60 
      1   0.187590D+01 -0.184876D+00  0.421457D+01 -0.335136D+01  0.255636D+01
      2  -0.671752D+00 -0.345730D+01 -0.414607D+01 -0.128004D+02  0.761288D+01
      3   0.138651D+02  0.173857D+00  0.405548D+02  0.892088D+01  0.856460D+01
                61            62            63            64            65 
      1  -0.841941D+00  0.855882D+01  0.470926D+01 -0.210058D+01 -0.107160D+00
      2  -0.205405D+02  0.985748D+01  0.170445D+02  0.127773D+02 -0.216846D+00
      3   0.344663D+01  0.110718D+02 -0.546033D+01 -0.294450D+02 -0.175020D+02
                66            67            68            69            70 
      1  -0.806686D+00 -0.322964D+01 -0.250559D+01 -0.271961D+01  0.264485D+01
      2   0.683684D+01  0.412767D+01  0.163467D+02 -0.120273D+02 -0.197576D+01
      3   0.185133D+01 -0.261757D+02 -0.750450D+01 -0.142350D+02 -0.493419D+01
                71            72            73            74            75 
      1   0.528809D+01  0.222505D+01 -0.242104D+01 -0.669139D+01  0.547164D+00
      2  -0.103160D+02 -0.191317D+02 -0.189214D+02  0.566631D+01  0.341571D+01
      3  -0.150969D+02  0.820833D+01  0.183145D+02  0.100605D+02 -0.231278D+01
                76            77            78            79            80 
      1  -0.947106D+01  0.200596D+01 -0.144337D+02  0.764024D+00 -0.707567D+01
      2   0.719272D+01 -0.111079D+02  0.116134D+02  0.360024D+01  0.991164D+01
      3   0.185913D+02  0.105824D+01  0.177930D+02 -0.298688D+01  0.131995D+02
                81            82            83            84            85 
      1   0.289285D+01  0.671575D+01  0.452779D+01  0.145084D+01  0.561432D+01
      2   0.129444D+02 -0.160060D+00 -0.410299D+01 -0.251924D+01 -0.689153D+01
      3  -0.987387D+01  0.256891D+02  0.421238D+01 -0.278003D+01  0.769734D+01
                86            87            88            89            90 
      1   0.927436D+01 -0.465689D+01  0.316934D+01  0.330906D+01 -0.167147D+02
      2  -0.145962D+02  0.113684D+02 -0.627581D+01  0.693668D+01  0.221850D+02
      3   0.106919D+01  0.106972D+02  0.319101D+00  0.122042D+02 -0.716962D+01
                91            92            93            94            95 
      1   0.910660D+00  0.294539D+00  0.193777D+01  0.199180D+01 -0.171985D+01
      2  -0.436530D+01 -0.353698D+01 -0.786014D+00 -0.384596D+01 -0.284519D+01
      3  -0.101753D+01  0.453236D+00  0.278809D+01  0.308534D+02 -0.166890D+02
                96            97            98            99           100 
      1  -0.336564D+01  0.270682D+01  0.496723D+01 -0.147416D+01 -0.731438D+00
      2  -0.676571D+01 -0.159812D+02 -0.664772D+01  0.154847D+02  0.187681D+01
      3  -0.117687D+01  0.135711D+01  0.468685D+01  0.490614D+01  0.118360D+02
               101           102           103           104           105 
      1  -0.548489D+01 -0.479791D+01 -0.603124D+00 -0.594568D-01  0.221086D+01
      2   0.345067D+01  0.505138D+01  0.193278D+01  0.981977D+00  0.111275D+02
      3  -0.147551D+02 -0.496749D+01 -0.781719D+01  0.375011D+01  0.323851D+01
               106           107           108           109           110 
      1  -0.657862D+01  0.139221D+01 -0.402667D+01  0.452232D+01  0.269610D+01
      2  -0.373526D+01  0.922708D+01 -0.166973D+02  0.952073D+01 -0.287919D+01
      3  -0.800615D+01  0.105205D+02 -0.557910D+01 -0.726917D+00 -0.398260D+01
               111           112           113           114           115 
      1   0.388189D+01 -0.579858D+00  0.100349D+01 -0.673008D+01  0.414356D+01
      2   0.845748D+01 -0.971849D+00  0.776287D+01 -0.997166D+01  0.396641D+01
      3   0.569438D+00 -0.345865D+01  0.110116D+02 -0.785125D+01  0.962747D+01
               116           117           118           119           120 
      1   0.432628D+01  0.116001D+02 -0.372134D+01  0.299111D+01  0.102480D+00
      2  -0.637156D+01  0.286916D+02 -0.567095D+01 -0.769226D+00  0.548810D-01
      3  -0.168435D+02  0.537305D+01 -0.557791D+00  0.634802D+01  0.424134D+01
               121           122           123           124           125 
      1   0.127874D+01 -0.594478D+01 -0.304883D+01 -0.234643D+01  0.711450D+01
      2  -0.192728D+01 -0.459284D+01 -0.150948D+01 -0.222654D+01 -0.708123D+01
      3   0.705121D+01 -0.124031D+02  0.303153D+01 -0.199630D+01  0.861372D+01
               126           127           128           129           130 
      1  -0.684477D+01 -0.265965D+01 -0.227288D+01  0.119406D+01 -0.747456D+00
      2  -0.144509D+02  0.508118D+01  0.151841D+01 -0.146729D+01  0.718135D+00
      3   0.793044D+01 -0.619976D+00 -0.870990D+00  0.838784D+00  0.101385D+01
               131           132           133           134           135 
      1  -0.155303D+01 -0.980136D-01  0.329159D+01  0.551709D+01 -0.543198D+01
      2   0.248709D+00  0.350854D+00 -0.502331D+01 -0.599395D+00 -0.187401D+01
      3  -0.334574D+00  0.254929D+00  0.105757D+01  0.223588D+01 -0.173489D+01
               136           137           138           139           140 
      1  -0.292418D+01  0.320120D+01 -0.841364D+00  0.116336D+01 -0.142724D+01
      2  -0.872585D+01  0.223605D+01 -0.139671D+01  0.261337D+01 -0.853907D+00
      3   0.767575D+00 -0.162899D+01  0.818763D+00  0.923550D+00  0.114522D+01
               141           142           143           144           145 
      1  -0.599720D+00 -0.182720D+01  0.405042D+01 -0.293953D+01  0.197364D+01
      2   0.942815D-01 -0.406553D+01  0.350500D+00  0.324872D+00  0.427549D+01
      3  -0.358674D+00  0.807813D+00 -0.258573D+01  0.180279D+01  0.306434D+01
               146           147           148           149           150 
      1  -0.898482D+00 -0.251135D+01  0.104279D+01  0.254476D+00 -0.388193D+01
      2   0.495781D+00 -0.117326D+01  0.233520D+00 -0.191080D-01  0.610472D+00
      3   0.558682D-01 -0.233161D+01  0.181189D+01 -0.231713D+00 -0.762754D+00
               151           152           153           154           155 
      1  -0.181452D+01  0.216894D+01  0.601383D+01  0.331668D+01  0.151362D+01
      2  -0.463122D+01 -0.440677D+00 -0.700276D+00 -0.539255D+01  0.144828D-01
      3  -0.252534D+01  0.611795D+00  0.237441D+01 -0.637578D+01 -0.106489D+01
               156           157           158           159           160 
      1   0.283548D+01 -0.150079D+01  0.467496D+00 -0.374513D+01  0.291666D+01
      2  -0.582610D+00  0.937080D+00  0.186186D-02 -0.136083D+01 -0.262969D+01
      3  -0.285161D+01  0.366518D+01  0.432943D+00  0.902540D+00 -0.307519D+01
               161           162           163           164           165 
      1   0.119155D+01  0.471314D+01 -0.132426D+01 -0.470770D+00  0.133538D+01
      2  -0.445426D+00  0.191564D+01 -0.611052D+01  0.814814D+00  0.525688D+01
      3  -0.146423D+01 -0.185586D+01 -0.104993D+01 -0.393825D+01  0.680918D+00
               166           167           168           169           170 
      1  -0.213457D+00 -0.783905D-01 -0.208576D+01  0.287948D+01  0.853822D+00
      2   0.178572D+01 -0.330233D+01 -0.455969D+01  0.495689D+01 -0.901972D+01
      3  -0.490757D+01  0.224572D+01  0.309101D+01  0.326365D+01  0.545643D+01
               171           172           173           174           175 
      1  -0.758657D+01  0.194592D+01 -0.154380D+01  0.170805D+01 -0.268961D+01
      2  -0.232640D+02  0.664148D+01 -0.260453D+01  0.461007D+01 -0.305371D+01
      3   0.426396D+01  0.272451D+01 -0.729437D+01  0.141894D+00 -0.551518D+01
               176           177           178           179           180 
      1   0.445245D+01 -0.481064D+01  0.176282D+01 -0.245716D+01  0.289548D+01
      2   0.773160D+01 -0.538752D+01  0.414098D+01 -0.683797D+01  0.400084D+01
      3   0.160328D+02 -0.397942D+01 -0.273403D+01 -0.877044D+01  0.401285D+01
               181           182           183           184           185 
      1   0.331425D+00 -0.585885D+00 -0.185599D+00  0.712609D-01  0.530237D+00
      2  -0.405129D+01  0.596706D+00  0.909632D+01 -0.113615D+00 -0.327543D+01
      3   0.646277D+01 -0.838380D+01 -0.958255D+00 -0.235762D+01  0.475421D+01
               186           187           188           189           190 
      1  -0.103901D+01 -0.517907D+00  0.110314D+01 -0.163298D+00  0.362089D+01
      2  -0.248577D+00  0.636818D+01  0.364774D+00 -0.895458D+00  0.243249D+01
      3   0.347155D+01  0.154813D+00  0.419131D+01 -0.479579D+00 -0.955371D+01
               191           192           193           194           195 
      1   0.519239D+01 -0.485575D+00  0.570608D+01  0.749674D+01  0.448404D+00
      2   0.202236D+00  0.624527D+01 -0.192393D-01  0.494339D+01  0.692483D+01
      3  -0.116664D+02 -0.375042D+01 -0.108755D+02 -0.193256D+02 -0.961951D+01
               196           197           198           199           200 
      1   0.105161D+01  0.306514D+01  0.610083D+00 -0.258218D+01  0.324373D+01
      2   0.260544D+01  0.310921D+01  0.363544D+01  0.568059D+01 -0.132275D+01
      3  -0.200661D+01 -0.562812D+01 -0.407801D+01  0.301920D+01 -0.621323D+01
               201           202           203           204           205 
      1  -0.184795D+01  0.295374D+01 -0.102854D+02  0.540999D+01 -0.222187D+01
      2   0.470204D+01 -0.118625D+01  0.936217D+01 -0.134191D+02  0.140354D+01
      3   0.329637D+01 -0.361989D+01  0.157249D+02 -0.107789D+02  0.259918D+01
               206           207           208           209           210 
      1   0.794559D+01 -0.577696D+01 -0.152141D+01 -0.236009D+01  0.135671D+01
      2  -0.810503D+01  0.137598D+02  0.210297D+02 -0.342395D+01 -0.801901D+01
      3  -0.903519D+01  0.905675D+01 -0.986083D+01  0.316329D+01  0.374496D+01
               211           212           213           214           215 
      1  -0.143663D+01  0.273557D+00  0.617904D-01  0.835821D+00  0.209880D+01
      2  -0.278888D+01  0.537084D+01  0.237060D+01 -0.870126D+01  0.124260D+01
      3   0.462955D+01 -0.321812D+01 -0.375693D+01  0.245959D+01 -0.231436D+01
               216           217           218           219           220 
      1  -0.560011D+00 -0.111994D+01  0.175816D+01  0.264256D+01  0.152055D+01
      2   0.565728D+01 -0.786232D+01  0.193716D+01 -0.100827D+01  0.157712D+01
      3  -0.154155D+01 -0.221215D+02  0.697717D+01  0.433819D+00  0.742497D+01
               221           222           223           224           225 
      1  -0.161780D+01 -0.127881D+01  0.205946D+01  0.395343D+00  0.157692D+00
      2  -0.948367D+00 -0.306095D+00 -0.328493D+01 -0.136964D+00 -0.197853D+01
      3  -0.703946D+01 -0.946500D+00  0.180609D+01 -0.290213D+01 -0.187855D+01
               226           227           228           229           230 
      1   0.159681D+01 -0.607046D+00 -0.138343D+01 -0.277141D+00  0.180285D+01
      2  -0.494088D+01 -0.276500D+00  0.290176D+01 -0.590042D+00 -0.224387D+01
      3  -0.241983D+01 -0.239582D+01 -0.110455D+01 -0.410042D+00  0.116719D+01
               231           232           233           234           235 
      1   0.198197D+01 -0.146267D+01  0.475104D+01  0.167005D+02 -0.463103D+01
      2  -0.437581D+01 -0.668651D+00  0.873853D+00 -0.324017D+02  0.403630D+01
      3   0.223013D+01 -0.119021D+01  0.457829D+01 -0.160138D+01 -0.735006D+01
               236           237           238           239           240 
      1  -0.471507D+01 -0.315998D+01 -0.565387D+01 -0.883441D+01 -0.404551D+01
      2   0.295219D+01  0.544035D+01  0.367740D+01  0.443256D+01  0.367549D+01
      3  -0.111718D+02  0.126449D+01 -0.690946D+01 -0.218500D+02  0.666403D-02
               241           242           243           244           245 
      1  -0.243453D+01 -0.206744D+01 -0.723211D+00  0.336532D+00 -0.396336D+00
      2   0.366181D+01  0.329060D+01  0.322387D-01 -0.558681D+01 -0.519104D-03
      3  -0.718959D+00 -0.530021D+01 -0.162352D+01 -0.267509D+01 -0.178092D+01
               246           247           248           249           250 
      1  -0.837359D+00 -0.847298D-01  0.893156D-01 -0.831291D+00 -0.128346D+01
      2   0.374340D+01  0.257809D+00 -0.279006D+01  0.435661D+01  0.132222D+01
      3  -0.555774D+00 -0.764755D+00 -0.110487D+01  0.295420D+01 -0.115900D+01
               251           252           253           254           255 
      1   0.272536D+01  0.323351D+01 -0.245724D+01  0.106049D+01 -0.236280D+01
      2   0.358387D+01 -0.191801D+02  0.161348D+02  0.382753D+01  0.652832D+01
      3   0.368290D+01 -0.203994D+01 -0.171837D+02 -0.151032D+02  0.119117D+00
               256           257           258           259           260 
      1  -0.143980D+01 -0.649574D+01 -0.391904D+01 -0.628852D+00  0.133490D+01
      2   0.455240D+01  0.490367D+01  0.637840D+01  0.392565D+01  0.536681D+01
      3  -0.551451D+01  0.225173D+02 -0.361595D+01  0.166121D+01 -0.647600D+01
               261           262           263           264           265 
      1   0.917055D+01  0.863819D+00 -0.154427D+01  0.471130D+00 -0.260839D+01
      2  -0.189778D+02 -0.590151D+00  0.135609D+00  0.915080D+00 -0.172335D+00
      3  -0.484537D+01  0.276732D+01 -0.388202D+01 -0.166956D+01 -0.347648D+01
               266           267           268           269           270 
      1   0.925363D+01 -0.163351D+01  0.500688D+00 -0.129532D+01  0.961210D+00
      2  -0.313539D+01 -0.465109D+01  0.281041D+00 -0.163050D+01 -0.728744D+00
      3   0.262430D+02  0.502934D+01  0.115952D+01 -0.433565D+01  0.152133D+01
               271           272           273           274           275 
      1   0.123948D+01  0.539757D+00 -0.212462D+01  0.865608D+00  0.655654D+00
      2  -0.867750D+01 -0.230823D+00  0.791135D+01 -0.704879D+00 -0.155621D+01
      3   0.159230D+02 -0.587154D+01 -0.119959D+01 -0.407860D+01 -0.102632D+00
               276           277           278           279           280 
      1  -0.158057D+00 -0.218480D+01  0.692313D+00 -0.102194D+00  0.150033D+01
      2  -0.800880D+00  0.468353D+01 -0.268232D+00 -0.369380D+00 -0.127871D+01
      3   0.988726D+00 -0.161180D+01  0.198433D+01  0.207577D+01 -0.514970D+01
               281           282           283           284           285 
      1  -0.848754D+00  0.157856D+01 -0.365276D+00  0.537479D+01 -0.412124D+01
      2  -0.988209D+00 -0.120651D+01 -0.806574D+00 -0.902594D-01  0.305989D+01
      3   0.803514D+01 -0.272410D+00  0.489578D+01 -0.316961D+02  0.591169D+00
               286           287           288           289           290 
      1   0.656701D+00 -0.125667D+01  0.395927D+00 -0.175321D+01 -0.614501D+00
      2  -0.156721D+01  0.288378D+01  0.628010D+00  0.422657D+01  0.175865D-01
      3  -0.131681D+01  0.394939D+01 -0.314858D+01  0.180498D+01  0.999036D+00
               291           292           293           294           295 
      1   0.519796D+00 -0.276844D+00 -0.249106D+01  0.923829D+00 -0.251396D+00
      2  -0.180104D+01  0.129105D+01  0.226546D+01 -0.317651D+01 -0.187734D+01
      3   0.114636D+01  0.100868D+01  0.664298D+00 -0.190620D+01  0.151668D+01
               296           297 
      1   0.337545D+01 -0.114477D+02
      2  -0.162900D+00  0.253097D+02
      3  -0.419576D+01  0.114658D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.152802D+01 -0.754639D+01  0.202714D+02  0.131821D+02 -0.918401D+00
      2   0.712432D+01  0.313292D+01 -0.796389D+01 -0.353139D+01  0.285467D+01
      3  -0.865234D+01  0.441347D+01 -0.123075D+02 -0.965074D+01 -0.193627D+01
      4  -0.246793D+00  0.268711D+01 -0.107281D+01  0.900695D+01  0.546132D+01
      5   0.214588D+02 -0.252638D+00 -0.806238D+01 -0.949692D+01 -0.324059D+01
      6  -0.101474D+01 -0.354577D+01  0.148934D+01 -0.131356D+01  0.376671D+01
                 6             7             8             9            10 
      1  -0.182735D+02 -0.212374D+02 -0.970991D+01  0.452966D+01  0.473496D+02
      2   0.237439D+01  0.355499D+01  0.217642D+01  0.432943D+01 -0.232969D+02
      3   0.158991D+02  0.176824D+02  0.753349D+01 -0.885909D+01 -0.240527D+02
      4  -0.400206D+01  0.457748D+01 -0.247561D+01 -0.472043D+01 -0.106932D+02
      5  -0.231369D+01  0.972020D+01 -0.417439D+01  0.599898D+01 -0.101265D+02
      6   0.121402D+02 -0.650078D+01  0.641095D+01  0.147605D+02  0.315044D+01
                11            12            13            14            15 
      1   0.840525D+01 -0.187849D+01  0.144561D+02 -0.259368D+01  0.557526D+01
      2  -0.828743D+01  0.369782D+01 -0.133520D+02  0.691618D+01 -0.123550D+01
      3  -0.117821D+00 -0.181933D+01 -0.110410D+01 -0.432250D+01 -0.433976D+01
      4   0.256755D+01 -0.342200D+01  0.160132D+02 -0.692816D+01 -0.458522D+00
      5  -0.412908D+01  0.916878D+01  0.125647D+02  0.917009D-01 -0.350063D+01
      6   0.521830D+00 -0.704113D+01 -0.453972D+01  0.420001D+01  0.953982D+01
                16            17            18            19            20 
      1  -0.891117D+01  0.535200D+01 -0.198158D+02 -0.239233D+01  0.418618D+01
      2  -0.160741D+01  0.519655D+01  0.305190D+01 -0.227155D+01 -0.152029D+01
      3   0.105186D+02 -0.105485D+02  0.167639D+02  0.466388D+01 -0.266589D+01
      4   0.136617D+02  0.176377D+00 -0.436220D+01  0.364217D+01 -0.437163D+00
      5  -0.143829D+02 -0.371975D+01 -0.370998D+01 -0.186128D+02  0.308755D+01
      6  -0.579317D+01  0.176491D+01 -0.431196D+01  0.420094D+01  0.539920D+01
                21            22            23            24            25 
      1  -0.242246D+02 -0.905624D+01 -0.560070D+01 -0.498581D+01  0.220924D+02
      2   0.695260D+01 -0.176024D+01  0.642688D+01 -0.483058D+00  0.343071D+00
      3   0.172720D+02  0.108165D+02 -0.826185D+00  0.546887D+01 -0.224354D+02
      4   0.313992D+01  0.331058D+01 -0.598897D+00  0.311736D+01  0.464567D+01
      5  -0.771612D+00  0.184530D+01  0.943165D+00  0.678064D+01  0.134252D+02
      6   0.550064D+01  0.316409D+01  0.228068D+01  0.759905D+01  0.102126D+02
                26            27            28            29            30 
      1  -0.833987D+01  0.708687D+01  0.132102D+02 -0.753720D+00  0.130365D+01
      2   0.102989D+01 -0.263133D+01 -0.153731D+01  0.549712D+01  0.703413D+00
      3   0.730998D+01 -0.445554D+01 -0.116729D+02 -0.474340D+01 -0.200707D+01
      4   0.359603D+01  0.671201D+01  0.250039D+02  0.196313D+01 -0.173563D+01
      5   0.538369D+01 -0.587011D+01  0.412633D+01 -0.122901D+01  0.668331D+01
      6   0.225200D+01  0.107713D+02  0.275098D+01 -0.123631D+01  0.428718D+01
                31            32            33            34            35 
      1   0.160513D+00 -0.232582D+01  0.686851D+01 -0.758726D+01  0.917119D+01
      2   0.571656D+01  0.492113D+01 -0.189219D+01  0.110754D+01  0.363561D+01
      3  -0.587708D+01 -0.259531D+01 -0.497632D+01  0.647972D+01 -0.128068D+02
      4   0.128096D+02 -0.328056D-02  0.164185D+01  0.105926D+02  0.479763D+01
      5   0.110116D+02  0.896135D+00  0.104676D+01 -0.175041D+02  0.182659D+01
      6  -0.888359D+00  0.382642D+01  0.576427D+01 -0.143830D+01  0.942241D+00
                36            37            38            39            40 
      1  -0.182384D+02  0.756846D+01 -0.139851D+02  0.205166D+02  0.425847D+01
      2   0.312258D+01  0.108042D+01  0.134390D+02 -0.120736D+02  0.454508D+01
      3   0.151159D+02 -0.864888D+01  0.546144D+00 -0.844299D+01 -0.880355D+01
      4   0.770484D+00 -0.105743D+02 -0.784179D+00  0.336056D+01  0.151012D+02
      5  -0.126130D+01  0.118728D+02  0.214395D+01 -0.107457D+02 -0.277298D+01
      6  -0.822317D+01 -0.532849D+00 -0.549892D+01  0.606364D+01 -0.254210D+00
                41            42            43            44            45 
      1  -0.977827D+01 -0.727720D+01 -0.167677D+02 -0.477714D+01  0.836070D+01
      2   0.168709D+02 -0.100926D+02  0.806271D+00 -0.403302D+01 -0.897978D+00
      3  -0.709258D+01  0.173698D+02  0.159615D+02  0.881016D+01 -0.746272D+01
      4   0.622839D+01 -0.236459D+01 -0.423038D+01 -0.217129D+01 -0.625539D+01
      5  -0.117788D+01 -0.140857D+01  0.635949D+01 -0.521086D+01  0.881272D+01
      6  -0.625882D+01  0.461957D+01 -0.940870D+01  0.117890D+01  0.942358D+01
                46            47            48            49            50 
      1  -0.625575D+01  0.112229D+02 -0.227604D+02 -0.242309D+01 -0.140868D+02
      2   0.115578D+01 -0.902328D+01  0.697192D+01 -0.672213D+01  0.236109D+02
      3   0.509997D+01 -0.219960D+01  0.157885D+02  0.914522D+01 -0.952415D+01
      4   0.122873D+02 -0.539078D+00  0.522740D+01  0.853580D+01 -0.644102D+01
      5  -0.116881D+02  0.554444D+01 -0.105714D+01  0.927134D+01  0.206781D+01
      6   0.437190D+01  0.426948D+01 -0.459712D+01 -0.170181D+01 -0.534979D+01
                51            52            53            54            55 
      1   0.560651D+01  0.349599D+02 -0.322149D+01  0.110692D+02 -0.273861D+02
      2  -0.111645D+02 -0.103049D+02 -0.107711D+01 -0.669888D+01  0.125192D+02
      3   0.555799D+01 -0.246550D+02  0.429860D+01 -0.437036D+01  0.148668D+02
      4   0.101098D+01 -0.408181D+01  0.773707D+00  0.770794D+01 -0.768335D+01
      5   0.740605D+01  0.496634D+01  0.678871D+01 -0.496890D+01 -0.555684D+01
      6   0.368829D+01  0.114847D+02 -0.305886D+01  0.741836D+01  0.112475D+01
                56            57            58            59            60 
      1  -0.114055D+02 -0.639032D+01 -0.346528D+02 -0.262150D+02  0.124402D+01
      2   0.849618D+01  0.774062D+00  0.255609D+02  0.545217D+01  0.654783D+01
      3   0.290929D+01  0.561626D+01  0.909183D+01  0.207628D+02 -0.779184D+01
      4  -0.308854D+02  0.329988D+00 -0.487471D+02  0.140260D+02 -0.164389D+02
      5  -0.661432D-01 -0.130675D+02 -0.871806D+00 -0.157626D+02  0.135614D+02
      6   0.689699D+00  0.150836D+01  0.400359D+00  0.412411D+01 -0.509525D+01
                61            62            63            64            65 
      1  -0.159142D+02  0.127222D+01 -0.198868D+01 -0.925478D+02  0.323664D+02
      2  -0.186461D+01  0.804226D+01  0.730344D+01  0.503942D+02 -0.143985D+02
      3   0.177788D+02 -0.931448D+01 -0.531476D+01  0.421535D+02 -0.179680D+02
      4  -0.276469D+00 -0.210513D+02  0.266761D+02  0.315473D+02  0.267478D+02
      5  -0.244222D+02  0.231330D+02  0.387723D+02  0.275803D+02 -0.277483D+01
      6   0.112661D+02 -0.547509D+01 -0.124139D+02  0.871970D+00 -0.292301D+01
                66            67            68            69            70 
      1   0.269530D+02  0.648940D+02  0.265191D+02 -0.867671D+01  0.375981D+02
      2  -0.151038D+02 -0.302313D+02 -0.131662D+02  0.883054D+01 -0.154174D+02
      3  -0.118492D+02 -0.346627D+02 -0.133529D+02 -0.153828D+00 -0.221806D+02
      4  -0.139955D+01  0.317862D+02  0.854917D+01  0.254197D+02  0.200510D+01
      5   0.724127D+01 -0.273710D+01  0.267424D+02 -0.215649D+02 -0.182704D+01
      6   0.174170D+01  0.187590D+01  0.694086D+01 -0.482682D+01 -0.287690D+01
                71            72            73            74            75 
      1  -0.503903D+01  0.200576D+01  0.366278D+02 -0.251719D+02 -0.219453D+02
      2   0.862388D+01 -0.367699D+00 -0.188218D+02  0.610115D+01  0.119196D+02
      3  -0.358485D+01 -0.163806D+01 -0.178060D+02  0.190708D+02  0.100257D+02
      4   0.236196D+02 -0.173386D+02 -0.243046D+02 -0.338410D+02 -0.628964D+01
      5  -0.178983D+02 -0.359094D+02 -0.141127D+02 -0.873845D+01 -0.191665D+02
      6  -0.551180D+01 -0.533799D+01 -0.158582D+02 -0.985802D+01 -0.695896D+00
                76            77            78            79            80 
      1  -0.330851D+02 -0.294906D+02 -0.786484D+00 -0.249068D+02  0.147430D+01
      2   0.785991D+01  0.196152D+02 -0.121550D+02  0.122275D+02 -0.118912D+02
      3   0.252252D+02  0.987536D+01  0.129415D+02  0.126793D+02  0.104169D+02
      4  -0.437469D+02 -0.109385D+02 -0.391300D+02 -0.191435D+01 -0.278242D+02
      5  -0.899796D+01 -0.461340D+02  0.222974D+02 -0.110153D+02  0.200521D+02
      6  -0.155952D+02 -0.558997D+01 -0.113709D+02  0.206135D+01 -0.951918D+01
                81            82            83            84            85 
      1  -0.102962D+02  0.374268D+02 -0.231219D+02 -0.132007D+02 -0.310498D+02
      2  -0.493264D+00 -0.373926D+02 -0.173971D+00  0.660869D+01  0.137848D+01
      3   0.107895D+02 -0.342105D-01  0.232958D+02  0.659204D+01  0.296714D+02
      4   0.174312D+02 -0.200669D+02 -0.415790D+02 -0.844153D+00 -0.411287D+02
      5   0.156683D+02 -0.160402D+02  0.626394D+01 -0.458942D+01  0.405124D+01
      6   0.133152D+02  0.766718D+00  0.464374D+01 -0.290763D+01  0.286501D+01
                86            87            88            89            90 
      1  -0.281898D+02  0.910937D+01 -0.153574D+02  0.327783D+01  0.189674D+01
      2   0.492477D+00 -0.729186D+01  0.204934D+01 -0.832268D+01  0.238920D+02
      3   0.276973D+02 -0.181750D+01  0.133081D+02  0.504486D+01 -0.257887D+02
      4  -0.311475D+02 -0.164953D+02 -0.108604D+02 -0.239284D+02  0.102862D+02
      5  -0.144119D+02  0.215754D+02 -0.336712D+01  0.132841D+02  0.511069D+02
      6  -0.744789D+01  0.110525D+02 -0.148531D+01  0.101441D+02  0.121459D+02
                91            92            93            94            95 
      1   0.113419D+02 -0.616623D+01 -0.280010D+01 -0.145934D+02 -0.155137D+02
      2  -0.880738D+01 -0.107416D+01 -0.426374D+00  0.703663D+01  0.650153D+01
      3  -0.253452D+01  0.724038D+01  0.322648D+01  0.755675D+01  0.901218D+01
      4  -0.221935D+02 -0.162712D+02 -0.796179D+01 -0.372797D+02  0.162898D+02
      5  -0.902994D+01 -0.704705D+01 -0.957899D+01 -0.121263D+02 -0.243372D+01
      6  -0.466253D+01 -0.237984D+01 -0.423058D+01 -0.217644D+01 -0.532380D+01
                96            97            98            99           100 
      1  -0.619602D+01 -0.174603D+02 -0.849889D+01 -0.228962D+01 -0.345352D+01
      2  -0.538684D-01  0.104391D+01 -0.132454D+01  0.799892D+01  0.292644D-01
      3   0.624989D+01  0.164164D+02  0.982343D+01 -0.570930D+01  0.342426D+01
      4  -0.196642D+01 -0.184953D+02 -0.140523D+02 -0.159446D+02  0.114755D+02
      5  -0.135026D+02 -0.160649D+02 -0.147785D+02  0.306725D+02 -0.150760D+02
      6  -0.285472D+01 -0.785493D+01 -0.292203D+01  0.879356D+01  0.565043D+01
               101           102           103           104           105 
      1   0.516947D+01 -0.722567D+01  0.169761D+02  0.286250D+01  0.904128D+01
      2  -0.213811D+00  0.483753D+01 -0.120789D+02  0.182288D+01 -0.265541D+01
      3  -0.495566D+01  0.238813D+01 -0.489716D+01 -0.468539D+01 -0.638587D+01
      4  -0.898703D+00  0.725472D+01 -0.307900D+01 -0.149093D+02 -0.386699D+01
      5   0.647230D+01 -0.218412D+01  0.798942D+01 -0.369672D+01  0.208484D+02
      6  -0.564702D+01  0.576039D+01 -0.216192D+01 -0.371811D+00 -0.146486D+02
               106           107           108           109           110 
      1  -0.209687D+02  0.946070D+01 -0.447410D+01  0.408652D+02 -0.127192D+02
      2   0.813216D+01  0.185206D+01  0.155139D+01 -0.192363D+02  0.399311D+01
      3   0.128366D+02 -0.113128D+02  0.292272D+01 -0.216288D+02  0.872608D+01
      4   0.182955D+02 -0.136642D+02  0.198930D+02 -0.244686D+02  0.199644D+02
      5  -0.164482D+02  0.173498D+02 -0.231692D+02  0.295674D+02 -0.649509D+01
      6   0.106910D+02 -0.165325D+02  0.648194D+01 -0.114227D+02  0.405996D+01
               111           112           113           114           115 
      1   0.231192D+02 -0.143115D+02  0.326016D+01 -0.163367D+01  0.353368D+02
      2  -0.132836D+02  0.164237D+01  0.864879D+01 -0.184631D+01 -0.175504D+02
      3  -0.983562D+01  0.126691D+02 -0.119090D+02  0.347999D+01 -0.177865D+02
      4  -0.105687D+02  0.253772D+02 -0.229711D+02  0.182307D+02 -0.224227D+02
      5   0.215369D+02 -0.120005D+02  0.173821D+02 -0.189212D+02  0.330638D+02
      6  -0.776008D+01  0.629320D+01 -0.120150D+02  0.180693D+02 -0.113958D+02
               116           117           118           119           120 
      1  -0.264721D+01  0.101826D+02 -0.916234D+00 -0.929042D+01 -0.122454D+02
      2  -0.390046D+01 -0.131039D+02 -0.250473D+01  0.114330D+02  0.760287D+01
      3   0.654767D+01  0.292132D+01  0.342097D+01 -0.214253D+01  0.464253D+01
      4   0.288907D+02 -0.187471D+02  0.114865D+01 -0.528440D+01  0.367554D+01
      5  -0.168774D+02  0.555501D+02 -0.790533D+01 -0.852326D+00  0.582169D+01
      6   0.160624D+02 -0.279282D+02  0.388235D+01  0.521209D+01  0.125883D+01
               121           122           123           124           125 
      1  -0.306299D+01 -0.456845D+01 -0.522004D+01 -0.103023D+02 -0.878241D+01
      2   0.111159D+02 -0.148104D+02  0.234365D+01  0.559009D+01  0.794819D+01
      3  -0.805295D+01  0.193789D+02  0.287639D+01  0.471224D+01  0.834219D+00
      4  -0.734296D+01  0.364393D+02 -0.337446D+01  0.115229D+02 -0.169528D+02
      5   0.160810D+01 -0.258456D+01 -0.375276D+01  0.148836D+02 -0.160607D+02
      6   0.295590D+01  0.155318D+01  0.101391D+02 -0.541580D+01  0.197661D+02
               126           127           128           129           130 
      1  -0.106121D+02  0.267063D+00  0.814904D+00  0.257610D+01 -0.211174D+01
      2  -0.585733D+01 -0.548794D+01 -0.155202D+01  0.548997D+01 -0.759065D+00
      3   0.164694D+02  0.522088D+01  0.737114D+00 -0.806607D+01  0.287081D+01
      4  -0.143184D+02  0.190509D+01  0.273006D+01 -0.768570D+00  0.183051D+01
      5  -0.312592D+02 -0.934121D+01 -0.255693D+01  0.113254D+02 -0.261772D+01
      6   0.226951D+02  0.311539D+00 -0.171547D+01 -0.126275D+01 -0.144422D+01
               131           132           133           134           135 
      1  -0.302693D+01  0.711539D+01  0.371500D+01  0.401302D+01 -0.228127D+02
      2  -0.854743D+00  0.319038D+01  0.712336D+01  0.231545D+01 -0.159791D+02
      3   0.388168D+01 -0.103058D+02 -0.108384D+02 -0.632847D+01  0.387918D+02
      4   0.125974D+01 -0.177782D+01 -0.221803D+01 -0.356124D+01  0.238437D+01
      5  -0.294394D+01  0.370580D+01  0.123844D+02  0.420234D+01 -0.199493D+02
      6  -0.280443D+01  0.201581D+01  0.520644D+00  0.522436D+01 -0.115916D+01
               136           137           138           139           140 
      1   0.362434D+01 -0.178628D+00 -0.155068D+01  0.108598D+00 -0.192842D+01
      2  -0.587776D+01  0.941205D+00 -0.423698D+01  0.215022D+01 -0.337380D+00
      3   0.225342D+01 -0.762577D+00  0.578767D+01 -0.225882D+01  0.226580D+01
      4  -0.293204D+01  0.382234D+01 -0.105375D+01  0.242561D+01 -0.316476D+01
      5   0.115249D+02 -0.318459D+01  0.971236D+01 -0.472305D+01  0.353737D+01
      6  -0.722677D+00  0.187456D+01 -0.947026D+00  0.886471D+00 -0.303913D+01
               141           142           143           144           145 
      1   0.492184D+01 -0.385125D+01  0.451055D+01 -0.122723D+02 -0.292008D+01
      2   0.250014D+01 -0.543036D+01  0.118652D+01 -0.842490D+01 -0.264809D+01
      3  -0.742198D+01  0.928161D+01 -0.569707D+01  0.206972D+02  0.556817D+01
      4   0.137310D+01 -0.121901D+01  0.265223D+01 -0.224246D+01  0.524391D+01
      5  -0.582588D+01  0.119617D+02 -0.433362D+01  0.149680D+02 -0.876758D+01
      6   0.224710D+01 -0.186298D+01  0.480116D+01 -0.358907D+01 -0.596793D+01
               146           147           148           149           150 
      1  -0.182267D+01  0.563400D+01 -0.264679D+01 -0.512116D+01  0.915734D+01
      2   0.436538D+00  0.283226D+01 -0.410432D+00  0.106260D+01  0.154958D+00
      3   0.138613D+01 -0.846627D+01  0.305722D+01  0.405856D+01 -0.931229D+01
      4   0.373783D+01 -0.547025D+01  0.219190D+01  0.197623D+01 -0.295753D+01
      5  -0.337983D+01  0.114150D+02 -0.307744D+01 -0.264203D+01  0.375929D+01
      6  -0.360595D+01  0.626533D+01 -0.307414D+01 -0.574747D+01  0.957532D+01
               151           152           153           154           155 
      1   0.770436D+01  0.110277D+02 -0.295742D+02  0.357440D+01  0.278759D+01
      2   0.188995D+01 -0.314460D+01 -0.546908D+01 -0.250348D+01 -0.339003D+01
      3  -0.959432D+01 -0.788307D+01  0.350433D+02 -0.107092D+01  0.602443D+00
      4  -0.598348D+01 -0.510225D+01  0.805987D+01 -0.103806D+02  0.823444D+01
      5   0.105635D+02  0.502194D+01 -0.166489D+02  0.159756D+02 -0.547884D+01
      6   0.877110D+01  0.131382D+02 -0.243712D+02 -0.846234D+01  0.620919D+01
               156           157           158           159           160 
      1  -0.998815D+00  0.688852D+00 -0.388532D+01  0.531375D+01 -0.401881D+01
      2  -0.150617D+01 -0.482048D-02  0.241170D+01 -0.750264D+00 -0.140191D+01
      3   0.250499D+01 -0.684032D+00  0.147362D+01 -0.456348D+01  0.542072D+01
      4  -0.799903D+01  0.628455D+01 -0.643540D+01  0.647085D+01 -0.867568D+01
      5   0.135852D+02 -0.728423D+01  0.575198D+01 -0.871505D+01  0.150698D+02
      6  -0.838159D+01  0.611801D+01 -0.703605D+01  0.922783D+01 -0.105441D+02
               161           162           163           164           165 
      1   0.817210D+01 -0.136153D+02  0.801980D+01 -0.235270D+01 -0.844570D+01
      2  -0.466729D+01 -0.126609D+01 -0.738898D+01  0.670790D+00  0.630334D+01
      3  -0.350481D+01  0.148814D+02 -0.630816D+00  0.168191D+01  0.214236D+01
      4   0.787702D+01 -0.107002D+02 -0.583580D+01  0.993185D+01  0.690881D+01
      5  -0.783414D+01  0.197412D+02 -0.153984D+02  0.509470D+01  0.162304D+02
      6   0.121855D+02 -0.184775D+02  0.467579D+01 -0.191317D+01 -0.323449D+01
               166           167           168           169           170 
      1   0.446937D+01  0.107275D+01 -0.269541D+01 -0.143416D+02 -0.467245D+01
      2  -0.336299D+01  0.496299D+00  0.113423D+01  0.132526D+02  0.481828D+00
      3  -0.110638D+01 -0.156905D+01  0.156118D+01  0.108896D+01  0.419062D+01
      4   0.118229D+02 -0.989188D+01 -0.911052D+01  0.120914D+02 -0.140299D+02
      5   0.482277D+01 -0.912289D+01 -0.929947D+01  0.277852D+02 -0.187851D+02
      6  -0.333187D+01  0.656727D+01  0.969919D+01 -0.941365D+01  0.121983D+02
               171           172           173           174           175 
      1  -0.499247D+01  0.194829D+02 -0.103799D+02  0.626206D+01 -0.107964D+02
      2  -0.120624D+02 -0.329462D+01 -0.543163D+00 -0.165437D+01 -0.437415D+01
      3   0.170549D+02 -0.161883D+02  0.109231D+02 -0.460768D+01  0.151706D+02
      4  -0.221510D+02 -0.229067D+02  0.261864D+02 -0.571844D+01  0.334540D+02
      5  -0.511201D+02  0.846127D+01 -0.353623D+01  0.706385D+01 -0.465281D+01
      6   0.202855D+02 -0.278017D+01  0.148573D+00 -0.164616D+01  0.163748D+01
               176           177           178           179           180 
      1   0.377750D+01 -0.508609D+00  0.170260D+02 -0.498984D+00  0.236162D+01
      2   0.189626D+02 -0.435558D+01 -0.421411D+01 -0.695719D+01  0.419773D+00
      3  -0.227401D+02  0.486419D+01 -0.128119D+02  0.745617D+01 -0.278139D+01
      4  -0.481416D+02  0.117761D+02 -0.141806D+02  0.223774D+02 -0.140680D+02
      5   0.103931D+02 -0.843854D+01  0.100165D+02 -0.122584D+02  0.683592D+01
      6  -0.370939D+01  0.523379D+01 -0.410225D+01  0.604388D+01 -0.365902D+01
               181           182           183           184           185 
      1   0.145405D+03 -0.184091D+02 -0.187560D+02 -0.271794D+02  0.144365D+02
      2  -0.741511D+02  0.955385D+01  0.938968D+01  0.134508D+02 -0.537605D+01
      3  -0.712539D+02  0.885530D+01  0.936633D+01  0.137286D+02 -0.906048D+01
      4  -0.149457D+02  0.133221D+02  0.196066D+01  0.180531D+02 -0.891533D+01
      5  -0.224496D+02  0.272460D+01  0.167734D+02  0.326074D+01 -0.675437D+01
      6   0.103786D+01 -0.127942D+01  0.116482D+01 -0.154068D+01  0.993154D-01
               186           187           188           189           190 
      1   0.369713D+01 -0.214469D+02  0.281513D+01  0.174382D+02  0.358007D+02
      2  -0.241199D+01  0.122829D+02 -0.236627D+01 -0.107612D+02 -0.160068D+02
      3  -0.128514D+01  0.916405D+01 -0.448862D+00 -0.667706D+01 -0.197939D+02
      4  -0.624026D+01  0.121378D+01 -0.575930D+01 -0.630583D+00  0.344299D+02
      5  -0.117682D+01  0.241416D+02 -0.973309D+00 -0.555100D+01  0.283487D+02
      6   0.245553D+01 -0.492042D-01  0.265092D+01  0.855636D+00  0.127304D+02
               191           192           193           194           195 
      1   0.220813D+02  0.145066D+02  0.262187D+02  0.164406D+02  0.640930D+01
      2  -0.641093D+01 -0.100850D+02 -0.740198D+01  0.142341D+01 -0.338888D+01
      3  -0.156704D+02 -0.442154D+01 -0.188168D+02 -0.178640D+02 -0.302042D+01
      4   0.316814D+02  0.139011D+02  0.400551D+02  0.474053D+02  0.237954D+02
      5   0.173000D+02  0.226059D+02  0.243674D+02  0.277680D+02  0.211874D+02
      6   0.114955D+02  0.806620D+01  0.152212D+02  0.202985D+02  0.147432D+02
               196           197           198           199           200 
      1   0.863980D+01  0.230983D+01  0.748756D+01  0.112377D+02 -0.718955D+01
      2  -0.707347D+01 -0.215220D+01 -0.629375D+01 -0.946204D+01  0.611629D+01
      3  -0.156633D+01 -0.157634D+00 -0.119380D+01 -0.177565D+01  0.107326D+01
      4   0.103491D+02  0.129000D+02  0.123600D+02 -0.795548D+01  0.132420D+02
      5   0.192775D+02  0.129355D+02  0.155669D+02  0.177519D+02 -0.837882D+01
      6   0.750530D+01  0.105654D+02  0.803185D+01 -0.181783D+01  0.448854D+01
               201           202           203           204           205 
      1   0.127954D+02 -0.120186D+02  0.742682D+01 -0.411158D+01  0.108907D+02
      2  -0.110773D+02  0.107288D+02 -0.916383D+01  0.141825D+02 -0.114912D+02
      3  -0.171814D+01  0.128987D+01  0.173701D+01 -0.100709D+02  0.600556D+00
      4  -0.606289D+01  0.147144D+02 -0.293754D+02  0.227813D+02 -0.621952D+01
      5   0.184722D+02 -0.158478D+02  0.258650D+02 -0.319948D+02  0.195585D+02
      6  -0.199464D+01  0.546398D+01 -0.132325D+02  0.101187D+02 -0.263909D+01
               206           207           208           209           210 
      1  -0.159235D+01  0.279920D+01 -0.471801D+02  0.990146D+01  0.139184D+02
      2   0.988536D+01 -0.183037D+02  0.229972D+02 -0.568407D+01 -0.205726D+01
      3  -0.829301D+01  0.155046D+02  0.241829D+02 -0.421739D+01 -0.118612D+02
      4   0.168886D+02 -0.182071D+02 -0.359675D+01 -0.243952D+01 -0.113915D+01
      5  -0.198800D+02  0.353478D+02 -0.102960D+02 -0.108025D+01 -0.736973D+01
      6   0.996435D+01 -0.834207D+01  0.615548D+01 -0.496263D+01 -0.628802D+01
               211           212           213           214           215 
      1   0.874853D+01 -0.790434D+01 -0.632358D+01  0.106948D+02 -0.391256D+01
      2  -0.396365D+01  0.468167D+01  0.392030D+01 -0.216181D+01  0.209978D+01
      3  -0.478488D+01  0.322266D+01  0.240328D+01 -0.853295D+01  0.181279D+01
      4   0.199459D+01  0.332596D+01  0.584289D+01  0.182102D+00  0.390362D+01
      5   0.352238D-01  0.493409D+01 -0.799906D-02  0.133794D+01 -0.137035D+01
      6  -0.224217D+01  0.411007D+01  0.534115D+01 -0.374249D+01  0.431674D+01
               216           217           218           219           220 
      1  -0.104983D+02 -0.439912D+02  0.142304D+02  0.214769D+01  0.960295D+01
      2   0.113441D+01  0.296398D+02 -0.139039D+02 -0.224322D+01 -0.832559D+01
      3   0.936393D+01  0.143513D+02 -0.326449D+00  0.955343D-01 -0.127736D+01
      4  -0.138785D+01 -0.129295D+02 -0.336069D+01  0.343580D+01  0.253567D+01
      5   0.331623D+01  0.125176D+02  0.309332D+00 -0.612330D+01 -0.148264D+01
      6   0.242710D+01  0.509042D+00  0.306481D+01 -0.489003D+01  0.146421D+01
               221           222           223           224           225 
      1  -0.112626D+02  0.102633D-01  0.625851D+01 -0.314741D+01 -0.645633D+01
      2   0.130810D+02  0.684381D+00 -0.394424D+01  0.427374D+01  0.794349D+00
      3  -0.181839D+01 -0.694644D+00 -0.231428D+01 -0.112633D+01  0.566198D+01
      4   0.461824D+01  0.968224D+00  0.165804D+01  0.404612D+01 -0.139068D+01
      5   0.309682D+01 -0.351048D+00 -0.230274D+01  0.243947D+00 -0.314518D+01
      6  -0.106789D+01  0.979635D+00 -0.278273D+01  0.128201D+01 -0.636033D+00
               226           227           228           229           230 
      1   0.456284D+00  0.228260D+01 -0.879366D+01 -0.928129D+00  0.640036D+00
      2  -0.247668D+01  0.363211D+00  0.691177D+01  0.241255D+01 -0.173650D+01
      3   0.202039D+01 -0.264581D+01  0.188189D+01 -0.148442D+01  0.109646D+01
      4   0.301083D+01  0.665900D+01 -0.282396D+01  0.480579D+01  0.437513D+00
      5  -0.105321D+02 -0.124189D+01  0.136591D+02  0.914046D+00 -0.589326D+01
      6  -0.274365D+01 -0.126173D+01  0.175939D+01 -0.898895D+00 -0.225301D+00
               231           232           233           234           235 
      1   0.226030D+00 -0.851296D+01  0.215960D+01 -0.133045D+02  0.280208D+02
      2  -0.469273D+01  0.856356D+01 -0.373231D+01 -0.256269D+02 -0.600899D+00
      3   0.446670D+01 -0.505993D-01  0.157271D+01  0.389314D+02 -0.274199D+02
      4  -0.491733D+01 -0.516848D+01 -0.868062D+01  0.417807D+01  0.415017D+02
      5  -0.934864D+01  0.171430D+02  0.360622D+01 -0.698083D+02 -0.370231D+01
      6   0.366488D+01  0.442955D+01  0.786524D+01 -0.252467D+02 -0.307622D+01
               236           237           238           239           240 
      1   0.210085D+02  0.217657D+01  0.191208D+02  0.110491D+02 -0.407329D+00
      2   0.512482D+01  0.703902D-01  0.784652D+01  0.270235D+02  0.122656D+01
      3  -0.261333D+02 -0.224696D+01 -0.269673D+02 -0.380726D+02 -0.819230D+00
      4   0.448103D+02 -0.107256D+01  0.469208D+02  0.680590D+02 -0.695830D+00
      5  -0.538323D+01  0.939840D+01 -0.537701D+01 -0.428058D+01  0.678932D+01
      6  -0.474473D+01  0.538597D+01 -0.473383D+01 -0.789976D+01  0.617666D+01
               241           242           243           244           245 
      1   0.720716D+01  0.195692D+01  0.369154D+01  0.934756D+00  0.329375D+01
      2   0.228994D+00  0.520990D+01 -0.129451D+01 -0.435430D+01 -0.149312D+01
      3  -0.743615D+01 -0.716682D+01 -0.239703D+01  0.341954D+01 -0.180062D+01
      4   0.846988D+01  0.134902D+02  0.807663D+01  0.594271D+01  0.545740D+01
      5   0.774658D+01  0.649822D+01 -0.195835D+01 -0.121507D+02 -0.150640D+01
      6   0.441701D+01  0.488648D+01  0.166601D+00 -0.360870D+01 -0.520351D+00
               246           247           248           249           250 
      1  -0.676843D+01  0.419963D+01  0.130809D+00  0.194178D+01 -0.806448D+01
      2   0.526569D+01 -0.178093D+01 -0.136829D+00 -0.378614D+00  0.852466D+01
      3   0.150274D+01 -0.241870D+01  0.602089D-02 -0.156317D+01 -0.460179D+00
      4  -0.263425D+01  0.924188D+01  0.440717D+01 -0.720889D+01 -0.418950D+01
      5   0.124474D+02 -0.215012D+01 -0.725029D+01  0.891847D+01  0.171976D+02
      6   0.212538D+01 -0.173544D+01 -0.387313D+01  0.696649D+01  0.318197D+01
               251           252           253           254           255 
      1   0.219568D+01 -0.584011D+01 -0.863204D+02 -0.856128D+01  0.106848D+02
      2   0.657096D+00 -0.133185D+02  0.443032D+02  0.138821D+02 -0.643140D+01
      3  -0.285278D+01  0.191586D+02  0.420172D+02 -0.532082D+01 -0.425336D+01
      4  -0.987222D+01  0.902663D+01 -0.148193D+02  0.254372D+02  0.941715D+01
      5   0.755765D+01 -0.414364D+02  0.131868D+02  0.574839D+01  0.102824D+02
      6   0.619342D+01 -0.116757D+02  0.950524D+01  0.417528D+01  0.408517D+01
               256           257           258           259           260 
      1   0.142455D+02  0.366804D+02  0.321307D+00  0.287034D+02  0.149065D+01
      2   0.123309D+00 -0.380447D+02 -0.230886D-01 -0.106309D+02  0.375055D+01
      3  -0.143688D+02  0.136427D+01 -0.298218D+00 -0.180726D+02 -0.524120D+01
      4   0.338642D+02 -0.185170D+02  0.110573D+02  0.208137D+02  0.188141D+02
      5   0.106544D+02  0.141280D+02  0.129427D+02  0.157017D+02  0.117974D+02
      6   0.668398D+01  0.383937D+01  0.671190D+01  0.774045D+01  0.717619D+01
               261           262           263           264           265 
      1   0.132543D+02  0.320489D+01 -0.576104D+01 -0.118692D+01 -0.323770D+01
      2   0.621604D+01  0.342818D+01 -0.302803D+01 -0.369816D+00 -0.753185D+01
      3  -0.194704D+02 -0.663307D+01  0.878908D+01  0.155674D+01  0.107695D+02
      4   0.153172D+02 -0.116095D+02  0.178106D+02  0.354244D+01  0.218670D+02
      5  -0.276517D+02 -0.408012D+01  0.480820D+01  0.310452D+01  0.553876D+01
      6  -0.850167D+01  0.310284D+01 -0.374152D+01 -0.135849D+01 -0.495506D+01
               266           267           268           269           270 
      1  -0.134145D+02 -0.370871D+01  0.528751D+00  0.326564D+00 -0.156496D+01
      2   0.389550D+02  0.537223D+01  0.213645D+01 -0.700131D+01  0.178507D+01
      3  -0.255405D+02 -0.166352D+01 -0.266520D+01  0.667475D+01 -0.220109D+00
      4  -0.575517D+02 -0.109738D+02 -0.350855D+01  0.897233D+01 -0.312570D+01
      5  -0.129910D+02 -0.980304D+01  0.174380D+01 -0.288534D+01 -0.220115D+01
      6   0.169637D+02  0.821807D+01 -0.988902D+00  0.356859D+01  0.171315D+01
               271           272           273           274           275 
      1   0.131630D+03  0.116683D+02 -0.548262D+01 -0.474073D+01  0.750873D+01
      2  -0.622037D+02 -0.191984D+01  0.230386D+01  0.553538D+01 -0.414465D+00
      3  -0.694262D+02 -0.974842D+01  0.317876D+01 -0.794651D+00 -0.709426D+01
      4   0.461979D+02  0.188039D+02 -0.522472D+00  0.131285D+02  0.594607D+01
      5   0.265073D+01  0.102545D+01  0.129141D+02 -0.787564D+00 -0.195953D+01
      6  -0.158446D+01  0.118084D+01  0.388931D+01  0.153302D+00 -0.251533D+00
               276           277           278           279           280 
      1   0.360623D+00 -0.179503D+02 -0.156854D+01  0.102392D+02  0.822623D+00
      2  -0.413683D+00  0.766924D+01 -0.655335D+00 -0.727017D+01  0.325711D+01
      3   0.530598D-01  0.102811D+02  0.222387D+01 -0.296902D+01 -0.407973D+01
      4  -0.218719D+01 -0.809017D+01 -0.556087D+01  0.245486D+01  0.420502D+01
      5  -0.159738D+01  0.143371D+02  0.303760D+00 -0.803075D+00 -0.263969D+01
      6   0.260601D-01  0.389547D+01  0.725193D+00 -0.353049D+00 -0.992345D+00
               281           282           283           284           285 
      1   0.139364D+02 -0.161593D+01  0.104917D+02 -0.327981D+02 -0.216000D+00
      2  -0.144207D+02  0.114484D+01 -0.434367D+01  0.545983D+02 -0.727827D+00
      3   0.484283D+00  0.471083D+00 -0.614808D+01 -0.218002D+02  0.943826D+00
      4  -0.665414D+01 -0.190852D+01  0.945912D+01  0.538816D+02 -0.248292D+00
      5  -0.932536D-02 -0.254795D+01  0.134725D+01 -0.284159D+01  0.592517D+01
      6  -0.133850D+01 -0.231353D+01 -0.565132D-01  0.464266D+01  0.660532D+01
               286           287           288           289           290 
      1  -0.560678D+01  0.172345D+01 -0.595731D+01  0.725442D+01  0.758336D+00
      2   0.208208D+01 -0.517812D+01  0.481328D+01 -0.674888D+01 -0.179314D+01
      3   0.352470D+01  0.345466D+01  0.114403D+01 -0.505530D+00  0.103481D+01
      4  -0.413517D+01 -0.815745D+01  0.410447D+01  0.746540D-01 -0.302244D+01
      5   0.100565D+00  0.536389D+01  0.677859D+00  0.429830D+01 -0.107871D+01
      6  -0.525098D+00  0.693089D+01 -0.273629D+00  0.448665D+00 -0.126097D+01
               291           292           293           294           295 
      1   0.582498D+01 -0.557676D+01 -0.638245D+01 -0.647885D+00  0.106405D+02
      2  -0.247785D+01  0.213004D+01  0.361122D+01  0.304854D+01 -0.672634D+01
      3  -0.334713D+01  0.344673D+01  0.277123D+01 -0.240065D+01 -0.391416D+01
      4   0.437284D+00 -0.354836D+01 -0.290625D+01  0.274445D+01  0.579055D+01
      5   0.129404D+01 -0.227822D+01  0.252369D+01 -0.522115D+01  0.105665D+02
      6  -0.802491D+00 -0.723538D+00  0.154081D+00  0.164883D+01  0.211677D+01
               296           297 
      1  -0.105002D+01 -0.114473D+02
      2   0.328976D+01 -0.139394D+02
      3  -0.223974D+01  0.253867D+02
      4   0.906825D+01  0.151288D+00
      5   0.116495D+01  0.452014D+02
      6   0.458100D+01  0.173379D+02
 Leave Link  716 at Wed Sep  8 18:18:11 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.211718D+03 -0.526203D+00  0.181552D+01
      2  -0.526203D+00  0.139800D+03 -0.787677D+01
      3   0.181552D+01 -0.787677D+01  0.155471D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.101259D+02 -0.814751D+01  0.233412D+02
      2   0.256668D+01 -0.747888D+01  0.514385D+02
      3  -0.113147D+03 -0.372208D+02  0.140561D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.163563D+03  0.523472D+02 -0.243195D+02
      2  -0.911944D+02 -0.329992D+02  0.364874D+02
      3  -0.723686D+02 -0.193480D+02 -0.121679D+02
      4  -0.329046D+02  0.758519D+02 -0.154370D+02
      5  -0.280865D+02 -0.222043D+02  0.114246D+03
      6   0.198060D+01  0.200635D+02 -0.310873D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.978103D+01  0.266616D+00  0.669627D+00  0.537308D+01  0.207791D+01
      2   0.266616D+00  0.142715D+01 -0.215134D-01  0.207791D+01  0.187120D+01
      3   0.669627D+00 -0.215134D-01  0.121573D+01 -0.423548D+00 -0.265190D+01
                 6             7             8             9            10 
      1  -0.423548D+00 -0.874260D+01  0.306610D+00 -0.443659D+00  0.284138D+02
      2  -0.265190D+01  0.306610D+00 -0.140457D+01 -0.108183D+01  0.170156D+01
      3  -0.212187D+01 -0.443659D+00 -0.108183D+01 -0.178731D+01 -0.130016D+01
                11            12            13            14            15 
      1   0.170156D+01 -0.130016D+01 -0.254184D+00  0.397665D+01  0.123523D+01
      2   0.205482D+01 -0.686644D+00  0.397665D+01 -0.110671D+01 -0.113944D+00
      3  -0.686644D+00  0.292828D+01  0.123523D+01 -0.113944D+00 -0.100766D+01
                16            17            18            19            20 
      1  -0.375903D+01  0.118818D+01  0.124606D+01  0.718884D+01 -0.439532D+00
      2   0.118818D+01  0.157442D-01 -0.944508D+00 -0.439532D+00 -0.123368D+01
      3   0.124606D+01 -0.944508D+00 -0.338265D+00 -0.572400D+00 -0.555444D+00
                21            22            23            24            25 
      1  -0.572400D+00  0.336340D+01 -0.149935D+01 -0.116714D+01 -0.120262D+02
      2  -0.555444D+00 -0.149935D+01  0.252744D+01 -0.204939D+01 -0.514930D-01
      3  -0.297321D+01 -0.116714D+01 -0.204939D+01 -0.104164D+01  0.461402D+00
                26            27            28            29            30 
      1  -0.514930D-01  0.461402D+00 -0.250828D+02 -0.504800D+00  0.109202D+01
      2  -0.863082D+00 -0.820227D+00 -0.504800D+00 -0.166483D+01  0.164399D+00
      3  -0.820227D+00 -0.140671D+01  0.109202D+01  0.164399D+00 -0.269102D+01
                31            32            33            34            35 
      1   0.254634D+01 -0.441921D+01 -0.137227D+01  0.285696D+01 -0.136369D+01
      2  -0.441921D+01  0.842365D+00  0.447198D+00 -0.136369D+01  0.781885D-01
      3  -0.137227D+01  0.447198D+00  0.171337D+00 -0.743143D+00 -0.772493D+00
                36            37            38            39            40 
      1  -0.743143D+00  0.114165D+02 -0.540381D+00 -0.980337D+00 -0.433768D+01
      2  -0.772493D+00 -0.540381D+00 -0.250839D+01  0.130264D+01 -0.156832D+01
      3   0.892751D+00 -0.980337D+00  0.130264D+01 -0.168276D+01 -0.761498D-02
                41            42            43            44            45 
      1  -0.156832D+01 -0.761498D-02  0.981508D+01 -0.156400D+01  0.489541D+00
      2  -0.265526D+01  0.225807D+01 -0.156400D+01  0.137162D+01  0.136480D+01
      3   0.225807D+01  0.206287D+01  0.489541D+00  0.136480D+01  0.152972D+01
                46            47            48            49            50 
      1  -0.849303D+01  0.688469D+00  0.732545D+00 -0.187310D+01  0.134426D+01
      2   0.688469D+00  0.183321D+01 -0.501301D+00  0.134426D+01 -0.361373D+01
      3   0.732545D+00 -0.501301D+00  0.315224D+01  0.185546D+01  0.194774D+01
                51            52            53            54            55 
      1   0.185546D+01  0.121271D+02  0.147448D+01 -0.815007D+00 -0.132964D+02
      2   0.194774D+01  0.147448D+01 -0.320322D-01  0.142105D+01 -0.294768D+01
      3   0.947316D+00 -0.815007D+00  0.142105D+01  0.713360D+00 -0.613005D+00
                56            57            58            59            60 
      1  -0.294768D+01 -0.613005D+00 -0.665517D+01 -0.718449D+01 -0.381843D+00
      2  -0.417076D+01 -0.713196D-01 -0.718449D+01  0.409935D+00 -0.214251D+01
      3  -0.713196D-01 -0.154176D+01 -0.381843D+00 -0.214251D+01  0.167358D+01
                61            62            63            64            65 
      1  -0.166325D+01 -0.489400D+00 -0.322751D+01 -0.474317D+01  0.479799D+01
      2  -0.489400D+00 -0.275407D+01  0.292969D+01  0.479799D+01  0.336971D+01
      3  -0.322751D+01  0.292969D+01  0.503001D+01  0.271077D+01 -0.273446D+00
                66            67            68            69            70 
      1   0.271077D+01  0.128099D+02  0.522435D+01 -0.114919D+00  0.551069D+01
      2  -0.273446D+00  0.522435D+01  0.152009D+01  0.347923D+01  0.597395D+00
      3   0.772140D+00 -0.114919D+00  0.347923D+01 -0.263744D+01  0.411091D-01
                71            72            73            74            75 
      1   0.597395D+00  0.411091D-01  0.293108D+01 -0.362593D+01 -0.278728D+01
      2   0.350513D+01 -0.240366D+01 -0.362593D+01 -0.354775D+01 -0.167546D+00
      3  -0.240366D+01 -0.462779D+01 -0.278728D+01 -0.167546D+00 -0.148023D+01
                76            77            78            79            80 
      1  -0.516074D+01 -0.467718D+01 -0.275507D-01 -0.317897D+01  0.219268D+00
      2  -0.467718D+01 -0.927975D+00 -0.452553D+01  0.219268D+00 -0.330187D+01
      3  -0.275507D-01 -0.452553D+01  0.274065D+01 -0.318348D+00  0.241054D+01
                81            82            83            84            85 
      1  -0.318348D+00  0.343544D+01 -0.414011D+01 -0.153026D+01 -0.555781D+01
      2   0.241054D+01 -0.414011D+01 -0.402305D+01  0.343176D+00 -0.387700D+01
      3   0.272439D+01 -0.153026D+01  0.343176D+00 -0.840034D+00 -0.154721D+00
                86            87            88            89            90 
      1  -0.387700D+01 -0.154721D+00 -0.216185D+01 -0.832571D+00 -0.688880D+00
      2  -0.241335D+01 -0.261888D+01 -0.832571D+00 -0.336383D+01  0.180798D+01
      3  -0.261888D+01  0.290419D+01 -0.688880D+00  0.180798D+01  0.640233D+01
                91            92            93            94            95 
      1   0.385816D+01  0.271183D+01  0.583788D+00  0.446838D+00  0.534382D+01
      2   0.271183D+01  0.198731D+01  0.998830D+00  0.534382D+01 -0.367369D+01
      3   0.583788D+00  0.998830D+00  0.143785D+01  0.173157D+01 -0.325369D-01
                96            97            98            99           100 
      1   0.173157D+01  0.390614D+01  0.160013D+01  0.202239D+01  0.201633D+01
      2  -0.325369D-01  0.160013D+01  0.199058D+01  0.194730D+01 -0.135826D+01
      3   0.149536D+01  0.202239D+01  0.194730D+01 -0.436320D+01  0.144862D+01
               101           102           103           104           105 
      1  -0.135826D+01  0.144862D+01 -0.997411D+00 -0.638520D+00 -0.140287D+01
      2  -0.419648D-01 -0.868789D+00 -0.638520D+00  0.352919D+01  0.253452D+00
      3  -0.868789D+00  0.264859D+00 -0.140287D+01  0.253452D+00 -0.124405D+01
               106           107           108           109           110 
      1   0.199888D+01 -0.209608D+01  0.106980D+01 -0.494058D+01  0.200608D+01
      2  -0.209608D+01  0.122254D+01 -0.228678D+01  0.200608D+01 -0.139924D+01
      3   0.106980D+01 -0.228678D+01  0.295516D+01 -0.337214D+01  0.699700D+00
               111           112           113           114           115 
      1  -0.337214D+01  0.264501D+01 -0.238599D+01  0.128130D+01 -0.669075D+01
      2   0.699700D+00 -0.238599D+01  0.252130D+01 -0.230908D+01  0.261023D+01
      3  -0.177528D+01  0.128130D+01 -0.230908D+01  0.196735D+01 -0.298608D+01
               116           117           118           119           120 
      1   0.261023D+01 -0.298608D+01  0.105135D+01  0.128609D-01  0.127776D+01
      2  -0.393041D+01  0.203692D+01  0.128609D-01  0.202026D+01  0.411108D+00
      3   0.203692D+01 -0.724688D+01  0.127776D+01  0.411108D+00  0.298513D+00
               121           122           123           124           125 
      1  -0.394396D+00  0.193845D+01  0.185384D+00  0.277552D+01 -0.105498D+01
      2   0.193845D+01 -0.532849D+01  0.799759D+00 -0.105498D+01  0.288987D+01
      3   0.185384D+00  0.799759D+00  0.763206D-01 -0.776630D+00  0.250143D+01
               126           127           128           129           130 
      1  -0.776630D+00  0.214724D+01  0.734319D+00 -0.191554D+01  0.435639D+00
      2   0.250143D+01  0.734319D+00  0.371390D+00 -0.354565D+00  0.247254D+00
      3   0.450957D+01 -0.191554D+01 -0.354565D+00  0.191730D+01 -0.621871D+00
               131           132           133           134           135 
      1   0.247254D+00 -0.621871D+00 -0.219592D+01 -0.898054D+00  0.267117D+01
      2   0.476296D+00 -0.654580D+00 -0.898054D+00 -0.116250D+01  0.159255D+01
      3  -0.654580D+00  0.206796D+01  0.267117D+01  0.159255D+01 -0.711916D+01
               136           137           138           139           140 
      1  -0.390032D+01  0.123036D+01 -0.193430D+01  0.174349D+01 -0.626170D+00
      2   0.123036D+01 -0.820421D+00  0.622453D+00 -0.626170D+00  0.664119D+00
      3  -0.193430D+01  0.622453D+00 -0.172537D+01  0.113730D+01 -0.667215D+00
               141           142           143           144           145 
      1   0.113730D+01 -0.230538D+01  0.883429D+00 -0.249028D+01 -0.208576D+01
      2  -0.667215D+00  0.883429D+00 -0.122545D+01  0.149917D+01 -0.647108D+00
      3   0.171787D+01 -0.249028D+01  0.149917D+01 -0.439351D+01  0.209091D+01
               146           147           148           149           150 
      1  -0.647108D+00  0.209091D+01 -0.393150D+00 -0.206476D+00  0.704823D+00
      2  -0.375012D+00  0.632420D+00 -0.206476D+00 -0.641347D+00  0.918376D+00
      3   0.632420D+00 -0.221396D+01  0.704823D+00  0.918376D+00 -0.242120D+01
               151           152           153           154           155 
      1   0.204408D+01  0.104669D+01 -0.269682D+01  0.383160D+01 -0.104497D+01
      2   0.104669D+01  0.161521D+01 -0.244329D+01 -0.104497D+01  0.106023D+01
      3  -0.269682D+01 -0.244329D+01  0.741204D+01  0.251992D+01 -0.101338D+01
               156           157           158           159           160 
      1   0.251992D+01 -0.167999D+01  0.890173D+00 -0.138819D+01  0.253240D+01
      2  -0.101338D+01  0.890173D+00 -0.948239D+00  0.105888D+01 -0.125621D+01
      3   0.213264D+01 -0.138819D+01  0.105888D+01 -0.203336D+01  0.279550D+01
               161           162           163           164           165 
      1  -0.125621D+01  0.279550D+01  0.148437D+01 -0.443060D+00 -0.169827D+01
      2   0.176788D+01 -0.212688D+01 -0.443060D+00  0.912362D+00  0.495929D+00
      3  -0.212688D+01  0.474276D+01 -0.169827D+01  0.495929D+00  0.138928D+01
               166           167           168           169           170 
      1   0.101572D+01  0.152703D+01  0.498837D+00 -0.428025D+01  0.678054D+00
      2   0.152703D+01 -0.119780D+01 -0.127681D+01  0.678054D+00 -0.179759D+01
      3   0.498837D+00 -0.127681D+01 -0.134032D+01  0.296859D+01 -0.257052D+01
               171           172           173           174           175 
      1   0.296859D+01  0.327107D+01 -0.196039D+01  0.108325D+01 -0.264483D+01
      2  -0.257052D+01 -0.196039D+01  0.246000D+01 -0.401433D+00  0.331450D+01
      3  -0.690212D+01  0.108325D+01 -0.401433D+00  0.636434D+00 -0.564273D+00
               176           177           178           179           180 
      1   0.331450D+01 -0.564273D+00  0.413422D+01 -0.878637D+00  0.121335D+01
      2  -0.580085D+01  0.144767D+01 -0.878637D+00  0.269177D+01 -0.164363D+01
      3   0.144767D+01 -0.110309D+01  0.121335D+01 -0.164363D+01  0.873294D+00
               181           182           183           184           185 
      1   0.134698D+02 -0.161095D+01 -0.178899D+01 -0.324666D+01  0.123136D+01
      2  -0.161095D+01  0.111625D+01  0.227544D+00  0.123136D+01 -0.103234D+01
      3  -0.178899D+01  0.227544D+00  0.139818D+01  0.212365D+00 -0.729851D+00
               186           187           188           189           190 
      1   0.212365D+00 -0.239555D+01  0.742941D-01  0.201624D+01  0.442379D+01
      2  -0.729851D+00  0.742941D-01 -0.789359D+00  0.519108D-01  0.322011D+01
      3  -0.126417D+00  0.201624D+01  0.519108D-01 -0.346675D+00  0.231836D+01
               191           192           193           194           195 
      1   0.322011D+01  0.231836D+01  0.397109D+01  0.389921D+01  0.191403D+01
      2   0.296219D+01  0.132235D+01  0.389921D+01  0.511510D+01  0.266538D+01
      3   0.132235D+01  0.194335D+01  0.191403D+01  0.266538D+01  0.207977D+01
               196           197           198           199           200 
      1   0.140772D+01  0.956332D+00  0.163100D+01  0.132993D+01 -0.768904D+00
      2   0.956332D+00  0.142849D+01  0.126907D+01 -0.768904D+00  0.132528D+01
      3   0.163100D+01  0.126907D+01  0.142896D+01  0.166802D+01 -0.680128D+00
               201           202           203           204           205 
      1   0.166802D+01 -0.149115D+01  0.140738D+01 -0.130459D+01  0.161634D+01
      2  -0.680128D+00  0.140738D+01 -0.359581D+01  0.271534D+01 -0.703160D+00
      3   0.156053D+01 -0.130459D+01  0.271534D+01 -0.354279D+01  0.159459D+01
               206           207           208           209           210 
      1  -0.703160D+00  0.159459D+01 -0.677522D+01  0.470098D+00  0.797494D+00
      2   0.213079D+01 -0.219572D+01  0.470098D+00 -0.117128D+01 -0.740946D+00
      3  -0.219572D+01  0.395012D+01  0.797494D+00 -0.740946D+00 -0.195080D+01
               211           212           213           214           215 
      1   0.486665D+00 -0.661162D+00 -0.671083D+00  0.809139D+00 -0.429111D+00
      2  -0.661162D+00  0.902522D+00  0.890857D+00 -0.429111D+00  0.672384D+00
      3  -0.671083D+00  0.890857D+00  0.412269D+00 -0.961795D+00  0.119933D+00
               216           217           218           219           220 
      1  -0.961795D+00 -0.698664D+01  0.683212D+00  0.713180D+00  0.570370D+00
      2   0.119933D+00  0.683212D+00 -0.210513D+01  0.327951D+00 -0.129297D+01
      3   0.110828D+01  0.713180D+00  0.327951D+00 -0.108427D+01  0.193605D+00
               221           222           223           224           225 
      1  -0.129297D+01  0.193605D+00  0.934957D+00 -0.975382D-01 -0.582179D+00
      2   0.142458D+01  0.278854D+00 -0.975382D-01  0.770420D+00  0.155972D+00
      3   0.278854D+00  0.152225D+00 -0.582179D+00  0.155972D+00 -0.368255D+00
               226           227           228           229           230 
      1   0.259179D+00  0.414698D+00 -0.117776D+01  0.339139D-01  0.404100D+00
      2   0.414698D+00  0.587708D+00 -0.107571D+00  0.404100D+00 -0.414824D-01
      3  -0.117776D+01 -0.107571D+00  0.100013D+01  0.260024D-01 -0.723979D+00
               231           232           233           234           235 
      1   0.260024D-01 -0.148325D+01 -0.331059D+00  0.132903D+01  0.387350D+01
      2  -0.723979D+00 -0.331059D+00 -0.130321D+01  0.453713D+00  0.382299D+01
      3  -0.108451D+01  0.132903D+01  0.453713D+00 -0.917683D+01  0.213682D-01
               236           237           238           239           240 
      1   0.382299D+01  0.213682D-01  0.360514D+01  0.443860D+01 -0.131097D+00
      2   0.421572D+01 -0.212069D+00  0.443860D+01  0.751292D+01 -0.152476D-01
      3  -0.212069D+00  0.950317D+00 -0.131097D+00 -0.152476D-01  0.707859D+00
               241           242           243           244           245 
      1   0.103396D+01  0.762546D+00  0.876621D+00  0.295454D+00 -0.872181D+00
      2   0.762546D+00  0.158805D+01  0.781587D+00 -0.872181D+00 -0.484494D+00
      3   0.876621D+00  0.781587D+00 -0.222437D+00  0.143722D+01  0.967572D-01
               246           247           248           249           250 
      1   0.143722D+01 -0.131197D+01 -0.101448D+01  0.200894D+00  0.252262D+01
      2   0.967572D-01 -0.101448D+01 -0.591481D+00  0.113534D+01  0.211508D+00
      3  -0.117564D+01  0.200894D+00  0.113534D+01 -0.127017D+01 -0.195770D+01
               251           252           253           254           255 
      1   0.211508D+00 -0.195770D+01  0.828482D+01 -0.752673D+00 -0.206084D+01
      2   0.141708D+01 -0.107021D+01 -0.752673D+00 -0.351996D+01 -0.825335D+00
      3  -0.107021D+01  0.619738D+01 -0.206084D+01 -0.825335D+00 -0.110591D+01
               256           257           258           259           260 
      1  -0.496565D+01 -0.367024D+01 -0.118630D+01 -0.647674D+01 -0.151003D+01
      2  -0.367024D+01  0.418440D+01 -0.131824D+01 -0.151003D+01 -0.251375D+01
      3  -0.118630D+01 -0.131824D+01 -0.185807D+01 -0.157548D+01 -0.147708D+01
               261           262           263           264           265 
      1  -0.157548D+01 -0.925844D+00  0.133499D+01  0.450771D+00  0.157482D+01
      2  -0.147708D+01  0.133499D+01 -0.181527D+01 -0.430176D+00 -0.257532D+01
      3   0.384083D+01  0.450771D+00 -0.430176D+00 -0.387244D+00 -0.493076D+00
               266           267           268           269           270 
      1  -0.257532D+01 -0.493076D+00 -0.232614D+00  0.484215D+00 -0.204436D+00
      2   0.901962D+01  0.172347D+01  0.484215D+00 -0.129972D+01  0.519463D+00
      3   0.172347D+01  0.157067D+01 -0.204436D+00  0.519463D+00  0.402268D+00
               271           272           273           274           275 
      1  -0.153251D+02 -0.184914D+01  0.386851D+00  0.597901D+00 -0.114983D+01
      2  -0.184914D+01 -0.132773D+01 -0.109811D+00 -0.114983D+01 -0.469000D+00
      3   0.386851D+00 -0.109811D+00 -0.102881D+01  0.958141D-01  0.245721D+00
               276           277           278           279           280 
      1   0.958141D-01  0.240781D+01  0.468192D+00 -0.127096D+01 -0.576206D-01
      2   0.245721D+00  0.468192D+00  0.644301D+00  0.435107D-02 -0.866452D+00
      3   0.284472D+00 -0.127096D+01  0.435107D-02  0.594597D-01  0.352346D+00
               281           282           283           284           285 
      1  -0.866452D+00  0.352346D+00 -0.139955D+01 -0.205427D+00 -0.294047D-01
      2   0.201056D+01  0.207269D+00 -0.205427D+00 -0.872915D+01  0.115303D-01
      3   0.207269D+00  0.396603D+00 -0.294047D-01  0.115303D-01 -0.894294D+00
               286           287           288           289           290 
      1   0.103169D+01  0.290276D+00  0.802560D-01 -0.588723D+00  0.276338D+00
      2   0.290276D+00  0.119774D+01 -0.841326D+00  0.276338D+00  0.494827D+00
      3   0.802560D-01 -0.841326D+00 -0.134838D+00 -0.623546D+00  0.168890D+00
               291           292           293           294           295 
      1  -0.623546D+00  0.114412D+01  0.387124D+00  0.169747D+00 -0.187297D+01
      2   0.168890D+00  0.387124D+00  0.245621D+00 -0.447169D+00 -0.295793D+00
      3   0.261948D+00  0.169747D+00 -0.447169D+00  0.694823D+00 -0.767730D+00
               296           297 
      1  -0.295793D+00 -0.767730D+00
      2  -0.125633D+01 -0.189277D+00
      3  -0.189277D+00 -0.633872D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.244582D+01 -0.219439D+01  0.131776D+01 -0.709742D+01 -0.177096D+01
      2   0.322347D+01 -0.240738D+01  0.943104D+01 -0.195265D+01  0.198914D+01
      3   0.171209D+02 -0.133224D+01  0.273246D+01  0.716499D+01 -0.142530D+01
                 6             7             8             9            10 
      1  -0.249058D+01 -0.760681D+00  0.232399D+01  0.190427D+00 -0.388358D+01
      2  -0.320481D+01 -0.491055D+01 -0.125584D+01  0.196097D+01 -0.426124D+00
      3   0.249870D+01  0.135858D+02  0.615354D+00  0.255988D+01 -0.343651D+02
                11            12            13            14            15 
      1  -0.670417D+00  0.136415D+01  0.262595D+01  0.415274D+01 -0.839096D+01
      2   0.637151D+00 -0.188201D+01  0.417595D+01  0.316175D+00  0.226753D+00
      3  -0.204064D+01  0.125246D+01  0.107391D+02 -0.197688D+01 -0.107393D+01
                16            17            18            19            20 
      1  -0.381466D+01 -0.252842D+01 -0.469289D+01 -0.723311D+00  0.127532D+01
      2  -0.211017D+02 -0.146509D+01 -0.397907D+01 -0.388226D+01 -0.234310D+01
      3   0.967779D+00 -0.118631D+01 -0.791285D+00 -0.947441D+01 -0.173786D+01
                21            22            23            24            25 
      1  -0.131314D+01  0.541423D+01 -0.237246D+01 -0.348061D+01  0.492822D+01
      2   0.369428D+01 -0.370159D+01 -0.187677D+01  0.737399D+00 -0.287401D+01
      3   0.300803D+01  0.804600D+01  0.106321D+01 -0.223694D+01  0.163239D+02
                26            27            28            29            30 
      1   0.200646D+01 -0.160307D+01  0.186904D+01  0.701981D+00 -0.302224D+01
      2   0.993012D+00 -0.119327D+01  0.401687D+00  0.210974D+01 -0.288347D+01
      3  -0.793429D+00 -0.445341D+01  0.265022D+02  0.746355D+00 -0.264160D+01
                31            32            33            34            35 
      1  -0.116337D+01  0.494239D+01 -0.777114D+01 -0.581940D+01 -0.175592D+01
      2   0.398191D+01 -0.426343D+00  0.282529D+01 -0.227742D+02  0.326950D+01
      3   0.821538D+01  0.553178D+01  0.757960D+00 -0.544912D+01 -0.213368D+01
                36            37            38            39            40 
      1  -0.306231D+01 -0.292748D+01 -0.653466D+00 -0.116494D+01 -0.486990D+01
      2  -0.609239D+00 -0.202355D+01 -0.249465D+01  0.838608D+01 -0.275971D+01
      3   0.303524D+01 -0.132638D+02 -0.187113D+00  0.267566D+01  0.148745D+02
                41            42            43            44            45 
      1   0.114331D+01  0.568302D+00 -0.183841D+01  0.420614D+01  0.259702D+01
      2   0.162274D+01 -0.225757D+01 -0.727361D+01 -0.802705D+00  0.151204D+01
      3  -0.703502D+00  0.188094D+01 -0.979308D+01  0.367402D+01  0.863833D+00
                46            47            48            49            50 
      1   0.242706D+01  0.178752D+01  0.278603D+01  0.895002D+01  0.126553D+01
      2  -0.534705D+00 -0.227444D+01  0.324263D+01 -0.342249D+01 -0.181930D+01
      3   0.138239D+02 -0.200566D+01 -0.445425D+00  0.125859D+02  0.201333D+01
                51            52            53            54            55 
      1  -0.256418D+01  0.205808D+01  0.356819D+01  0.146376D+00  0.186569D+01
      2   0.689496D+00 -0.466378D+01  0.584972D+00  0.437093D+00 -0.724232D+01
      3  -0.477643D+01 -0.126102D+02 -0.221464D+01 -0.976499D+00  0.236480D+02
                56            57            58            59            60 
      1   0.187590D+01 -0.184876D+00  0.421457D+01 -0.335136D+01  0.255636D+01
      2  -0.671752D+00 -0.345730D+01 -0.414607D+01 -0.128004D+02  0.761288D+01
      3   0.138651D+02  0.173857D+00  0.405548D+02  0.892088D+01  0.856460D+01
                61            62            63            64            65 
      1  -0.841941D+00  0.855882D+01  0.470926D+01 -0.210058D+01 -0.107160D+00
      2  -0.205405D+02  0.985748D+01  0.170445D+02  0.127773D+02 -0.216846D+00
      3   0.344663D+01  0.110718D+02 -0.546033D+01 -0.294450D+02 -0.175020D+02
                66            67            68            69            70 
      1  -0.806686D+00 -0.322964D+01 -0.250559D+01 -0.271961D+01  0.264485D+01
      2   0.683684D+01  0.412767D+01  0.163467D+02 -0.120273D+02 -0.197576D+01
      3   0.185133D+01 -0.261757D+02 -0.750450D+01 -0.142350D+02 -0.493419D+01
                71            72            73            74            75 
      1   0.528809D+01  0.222505D+01 -0.242104D+01 -0.669139D+01  0.547164D+00
      2  -0.103160D+02 -0.191317D+02 -0.189214D+02  0.566631D+01  0.341571D+01
      3  -0.150969D+02  0.820833D+01  0.183145D+02  0.100605D+02 -0.231278D+01
                76            77            78            79            80 
      1  -0.947106D+01  0.200596D+01 -0.144337D+02  0.764024D+00 -0.707567D+01
      2   0.719272D+01 -0.111079D+02  0.116134D+02  0.360024D+01  0.991164D+01
      3   0.185913D+02  0.105824D+01  0.177930D+02 -0.298688D+01  0.131995D+02
                81            82            83            84            85 
      1   0.289285D+01  0.671575D+01  0.452779D+01  0.145084D+01  0.561432D+01
      2   0.129444D+02 -0.160060D+00 -0.410299D+01 -0.251924D+01 -0.689153D+01
      3  -0.987387D+01  0.256891D+02  0.421238D+01 -0.278003D+01  0.769734D+01
                86            87            88            89            90 
      1   0.927436D+01 -0.465689D+01  0.316934D+01  0.330906D+01 -0.167147D+02
      2  -0.145962D+02  0.113684D+02 -0.627581D+01  0.693668D+01  0.221850D+02
      3   0.106919D+01  0.106972D+02  0.319101D+00  0.122042D+02 -0.716962D+01
                91            92            93            94            95 
      1   0.910660D+00  0.294539D+00  0.193777D+01  0.199180D+01 -0.171985D+01
      2  -0.436530D+01 -0.353698D+01 -0.786014D+00 -0.384596D+01 -0.284519D+01
      3  -0.101753D+01  0.453236D+00  0.278809D+01  0.308534D+02 -0.166890D+02
                96            97            98            99           100 
      1  -0.336564D+01  0.270682D+01  0.496723D+01 -0.147416D+01 -0.731438D+00
      2  -0.676571D+01 -0.159812D+02 -0.664772D+01  0.154847D+02  0.187681D+01
      3  -0.117687D+01  0.135711D+01  0.468685D+01  0.490614D+01  0.118360D+02
               101           102           103           104           105 
      1  -0.548489D+01 -0.479791D+01 -0.603124D+00 -0.594568D-01  0.221086D+01
      2   0.345067D+01  0.505138D+01  0.193278D+01  0.981977D+00  0.111275D+02
      3  -0.147551D+02 -0.496749D+01 -0.781719D+01  0.375011D+01  0.323851D+01
               106           107           108           109           110 
      1  -0.657862D+01  0.139221D+01 -0.402667D+01  0.452232D+01  0.269610D+01
      2  -0.373526D+01  0.922708D+01 -0.166973D+02  0.952073D+01 -0.287919D+01
      3  -0.800615D+01  0.105205D+02 -0.557910D+01 -0.726917D+00 -0.398260D+01
               111           112           113           114           115 
      1   0.388189D+01 -0.579858D+00  0.100349D+01 -0.673008D+01  0.414356D+01
      2   0.845748D+01 -0.971849D+00  0.776287D+01 -0.997166D+01  0.396641D+01
      3   0.569438D+00 -0.345865D+01  0.110116D+02 -0.785125D+01  0.962747D+01
               116           117           118           119           120 
      1   0.432628D+01  0.116001D+02 -0.372134D+01  0.299111D+01  0.102480D+00
      2  -0.637156D+01  0.286916D+02 -0.567095D+01 -0.769226D+00  0.548810D-01
      3  -0.168435D+02  0.537305D+01 -0.557791D+00  0.634802D+01  0.424134D+01
               121           122           123           124           125 
      1   0.127874D+01 -0.594478D+01 -0.304883D+01 -0.234643D+01  0.711450D+01
      2  -0.192728D+01 -0.459284D+01 -0.150948D+01 -0.222654D+01 -0.708123D+01
      3   0.705121D+01 -0.124031D+02  0.303153D+01 -0.199630D+01  0.861372D+01
               126           127           128           129           130 
      1  -0.684477D+01 -0.265965D+01 -0.227288D+01  0.119406D+01 -0.747456D+00
      2  -0.144509D+02  0.508118D+01  0.151841D+01 -0.146729D+01  0.718135D+00
      3   0.793044D+01 -0.619976D+00 -0.870990D+00  0.838784D+00  0.101385D+01
               131           132           133           134           135 
      1  -0.155303D+01 -0.980136D-01  0.329159D+01  0.551709D+01 -0.543198D+01
      2   0.248709D+00  0.350854D+00 -0.502331D+01 -0.599395D+00 -0.187401D+01
      3  -0.334574D+00  0.254929D+00  0.105757D+01  0.223588D+01 -0.173489D+01
               136           137           138           139           140 
      1  -0.292418D+01  0.320120D+01 -0.841364D+00  0.116336D+01 -0.142724D+01
      2  -0.872585D+01  0.223605D+01 -0.139671D+01  0.261337D+01 -0.853907D+00
      3   0.767575D+00 -0.162899D+01  0.818763D+00  0.923550D+00  0.114522D+01
               141           142           143           144           145 
      1  -0.599720D+00 -0.182720D+01  0.405042D+01 -0.293953D+01  0.197364D+01
      2   0.942815D-01 -0.406553D+01  0.350500D+00  0.324872D+00  0.427549D+01
      3  -0.358674D+00  0.807813D+00 -0.258573D+01  0.180279D+01  0.306434D+01
               146           147           148           149           150 
      1  -0.898482D+00 -0.251135D+01  0.104279D+01  0.254476D+00 -0.388193D+01
      2   0.495781D+00 -0.117326D+01  0.233520D+00 -0.191080D-01  0.610472D+00
      3   0.558682D-01 -0.233161D+01  0.181189D+01 -0.231713D+00 -0.762754D+00
               151           152           153           154           155 
      1  -0.181452D+01  0.216894D+01  0.601383D+01  0.331668D+01  0.151362D+01
      2  -0.463122D+01 -0.440677D+00 -0.700276D+00 -0.539255D+01  0.144828D-01
      3  -0.252534D+01  0.611795D+00  0.237441D+01 -0.637578D+01 -0.106489D+01
               156           157           158           159           160 
      1   0.283548D+01 -0.150079D+01  0.467496D+00 -0.374513D+01  0.291666D+01
      2  -0.582610D+00  0.937080D+00  0.186186D-02 -0.136083D+01 -0.262969D+01
      3  -0.285161D+01  0.366518D+01  0.432943D+00  0.902540D+00 -0.307519D+01
               161           162           163           164           165 
      1   0.119155D+01  0.471314D+01 -0.132426D+01 -0.470770D+00  0.133538D+01
      2  -0.445426D+00  0.191564D+01 -0.611052D+01  0.814814D+00  0.525688D+01
      3  -0.146423D+01 -0.185586D+01 -0.104993D+01 -0.393825D+01  0.680918D+00
               166           167           168           169           170 
      1  -0.213457D+00 -0.783905D-01 -0.208576D+01  0.287948D+01  0.853822D+00
      2   0.178572D+01 -0.330233D+01 -0.455969D+01  0.495689D+01 -0.901972D+01
      3  -0.490757D+01  0.224572D+01  0.309101D+01  0.326365D+01  0.545643D+01
               171           172           173           174           175 
      1  -0.758657D+01  0.194592D+01 -0.154380D+01  0.170805D+01 -0.268961D+01
      2  -0.232640D+02  0.664148D+01 -0.260453D+01  0.461007D+01 -0.305371D+01
      3   0.426396D+01  0.272451D+01 -0.729437D+01  0.141894D+00 -0.551518D+01
               176           177           178           179           180 
      1   0.445245D+01 -0.481064D+01  0.176282D+01 -0.245716D+01  0.289548D+01
      2   0.773160D+01 -0.538752D+01  0.414098D+01 -0.683797D+01  0.400084D+01
      3   0.160328D+02 -0.397942D+01 -0.273403D+01 -0.877044D+01  0.401285D+01
               181           182           183           184           185 
      1   0.331425D+00 -0.585885D+00 -0.185599D+00  0.712609D-01  0.530237D+00
      2  -0.405129D+01  0.596706D+00  0.909632D+01 -0.113615D+00 -0.327543D+01
      3   0.646277D+01 -0.838380D+01 -0.958255D+00 -0.235762D+01  0.475421D+01
               186           187           188           189           190 
      1  -0.103901D+01 -0.517907D+00  0.110314D+01 -0.163298D+00  0.362089D+01
      2  -0.248577D+00  0.636818D+01  0.364774D+00 -0.895458D+00  0.243249D+01
      3   0.347155D+01  0.154813D+00  0.419131D+01 -0.479579D+00 -0.955371D+01
               191           192           193           194           195 
      1   0.519239D+01 -0.485575D+00  0.570608D+01  0.749674D+01  0.448404D+00
      2   0.202236D+00  0.624527D+01 -0.192393D-01  0.494339D+01  0.692483D+01
      3  -0.116664D+02 -0.375042D+01 -0.108755D+02 -0.193256D+02 -0.961951D+01
               196           197           198           199           200 
      1   0.105161D+01  0.306514D+01  0.610083D+00 -0.258218D+01  0.324373D+01
      2   0.260544D+01  0.310921D+01  0.363544D+01  0.568059D+01 -0.132275D+01
      3  -0.200661D+01 -0.562812D+01 -0.407801D+01  0.301920D+01 -0.621323D+01
               201           202           203           204           205 
      1  -0.184795D+01  0.295374D+01 -0.102854D+02  0.540999D+01 -0.222187D+01
      2   0.470204D+01 -0.118625D+01  0.936217D+01 -0.134191D+02  0.140354D+01
      3   0.329637D+01 -0.361989D+01  0.157249D+02 -0.107789D+02  0.259918D+01
               206           207           208           209           210 
      1   0.794559D+01 -0.577696D+01 -0.152141D+01 -0.236009D+01  0.135671D+01
      2  -0.810503D+01  0.137598D+02  0.210297D+02 -0.342395D+01 -0.801901D+01
      3  -0.903519D+01  0.905675D+01 -0.986083D+01  0.316329D+01  0.374496D+01
               211           212           213           214           215 
      1  -0.143663D+01  0.273557D+00  0.617904D-01  0.835821D+00  0.209880D+01
      2  -0.278888D+01  0.537084D+01  0.237060D+01 -0.870126D+01  0.124260D+01
      3   0.462955D+01 -0.321812D+01 -0.375693D+01  0.245959D+01 -0.231436D+01
               216           217           218           219           220 
      1  -0.560011D+00 -0.111994D+01  0.175816D+01  0.264256D+01  0.152055D+01
      2   0.565728D+01 -0.786232D+01  0.193716D+01 -0.100827D+01  0.157712D+01
      3  -0.154155D+01 -0.221215D+02  0.697717D+01  0.433819D+00  0.742497D+01
               221           222           223           224           225 
      1  -0.161780D+01 -0.127881D+01  0.205946D+01  0.395343D+00  0.157692D+00
      2  -0.948367D+00 -0.306095D+00 -0.328493D+01 -0.136964D+00 -0.197853D+01
      3  -0.703946D+01 -0.946500D+00  0.180609D+01 -0.290213D+01 -0.187855D+01
               226           227           228           229           230 
      1   0.159681D+01 -0.607046D+00 -0.138343D+01 -0.277141D+00  0.180285D+01
      2  -0.494088D+01 -0.276500D+00  0.290176D+01 -0.590042D+00 -0.224387D+01
      3  -0.241983D+01 -0.239582D+01 -0.110455D+01 -0.410042D+00  0.116719D+01
               231           232           233           234           235 
      1   0.198197D+01 -0.146267D+01  0.475104D+01  0.167005D+02 -0.463103D+01
      2  -0.437581D+01 -0.668651D+00  0.873853D+00 -0.324017D+02  0.403630D+01
      3   0.223013D+01 -0.119021D+01  0.457829D+01 -0.160138D+01 -0.735006D+01
               236           237           238           239           240 
      1  -0.471507D+01 -0.315998D+01 -0.565387D+01 -0.883441D+01 -0.404551D+01
      2   0.295219D+01  0.544035D+01  0.367740D+01  0.443256D+01  0.367549D+01
      3  -0.111718D+02  0.126449D+01 -0.690946D+01 -0.218500D+02  0.666403D-02
               241           242           243           244           245 
      1  -0.243453D+01 -0.206744D+01 -0.723211D+00  0.336532D+00 -0.396336D+00
      2   0.366181D+01  0.329060D+01  0.322387D-01 -0.558681D+01 -0.519104D-03
      3  -0.718959D+00 -0.530021D+01 -0.162352D+01 -0.267509D+01 -0.178092D+01
               246           247           248           249           250 
      1  -0.837359D+00 -0.847298D-01  0.893156D-01 -0.831291D+00 -0.128346D+01
      2   0.374340D+01  0.257809D+00 -0.279006D+01  0.435661D+01  0.132222D+01
      3  -0.555774D+00 -0.764755D+00 -0.110487D+01  0.295420D+01 -0.115900D+01
               251           252           253           254           255 
      1   0.272536D+01  0.323351D+01 -0.245724D+01  0.106049D+01 -0.236280D+01
      2   0.358387D+01 -0.191801D+02  0.161348D+02  0.382753D+01  0.652832D+01
      3   0.368290D+01 -0.203994D+01 -0.171837D+02 -0.151032D+02  0.119117D+00
               256           257           258           259           260 
      1  -0.143980D+01 -0.649574D+01 -0.391904D+01 -0.628852D+00  0.133490D+01
      2   0.455240D+01  0.490367D+01  0.637840D+01  0.392565D+01  0.536681D+01
      3  -0.551451D+01  0.225173D+02 -0.361595D+01  0.166121D+01 -0.647600D+01
               261           262           263           264           265 
      1   0.917055D+01  0.863819D+00 -0.154427D+01  0.471130D+00 -0.260839D+01
      2  -0.189778D+02 -0.590151D+00  0.135609D+00  0.915080D+00 -0.172335D+00
      3  -0.484537D+01  0.276732D+01 -0.388202D+01 -0.166956D+01 -0.347648D+01
               266           267           268           269           270 
      1   0.925363D+01 -0.163351D+01  0.500688D+00 -0.129532D+01  0.961210D+00
      2  -0.313539D+01 -0.465109D+01  0.281041D+00 -0.163050D+01 -0.728744D+00
      3   0.262430D+02  0.502934D+01  0.115952D+01 -0.433565D+01  0.152133D+01
               271           272           273           274           275 
      1   0.123948D+01  0.539757D+00 -0.212462D+01  0.865608D+00  0.655654D+00
      2  -0.867750D+01 -0.230823D+00  0.791135D+01 -0.704879D+00 -0.155621D+01
      3   0.159230D+02 -0.587154D+01 -0.119959D+01 -0.407860D+01 -0.102632D+00
               276           277           278           279           280 
      1  -0.158057D+00 -0.218480D+01  0.692313D+00 -0.102194D+00  0.150033D+01
      2  -0.800880D+00  0.468353D+01 -0.268232D+00 -0.369380D+00 -0.127871D+01
      3   0.988726D+00 -0.161180D+01  0.198433D+01  0.207577D+01 -0.514970D+01
               281           282           283           284           285 
      1  -0.848754D+00  0.157856D+01 -0.365276D+00  0.537479D+01 -0.412124D+01
      2  -0.988209D+00 -0.120651D+01 -0.806574D+00 -0.902594D-01  0.305989D+01
      3   0.803514D+01 -0.272410D+00  0.489578D+01 -0.316961D+02  0.591169D+00
               286           287           288           289           290 
      1   0.656701D+00 -0.125667D+01  0.395927D+00 -0.175321D+01 -0.614501D+00
      2  -0.156721D+01  0.288378D+01  0.628010D+00  0.422657D+01  0.175865D-01
      3  -0.131681D+01  0.394939D+01 -0.314858D+01  0.180498D+01  0.999036D+00
               291           292           293           294           295 
      1   0.519796D+00 -0.276844D+00 -0.249106D+01  0.923829D+00 -0.251396D+00
      2  -0.180104D+01  0.129105D+01  0.226546D+01 -0.317651D+01 -0.187734D+01
      3   0.114636D+01  0.100868D+01  0.664298D+00 -0.190620D+01  0.151668D+01
               296           297 
      1   0.337545D+01 -0.114477D+02
      2  -0.162900D+00  0.253097D+02
      3  -0.419576D+01  0.114658D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.152802D+01 -0.754639D+01  0.202714D+02  0.131821D+02 -0.918401D+00
      2   0.712432D+01  0.313292D+01 -0.796389D+01 -0.353139D+01  0.285467D+01
      3  -0.865234D+01  0.441347D+01 -0.123075D+02 -0.965074D+01 -0.193627D+01
      4  -0.246793D+00  0.268711D+01 -0.107281D+01  0.900695D+01  0.546132D+01
      5   0.214588D+02 -0.252638D+00 -0.806238D+01 -0.949692D+01 -0.324059D+01
      6  -0.101474D+01 -0.354577D+01  0.148934D+01 -0.131356D+01  0.376671D+01
                 6             7             8             9            10 
      1  -0.182735D+02 -0.212374D+02 -0.970991D+01  0.452966D+01  0.473496D+02
      2   0.237439D+01  0.355499D+01  0.217642D+01  0.432943D+01 -0.232969D+02
      3   0.158991D+02  0.176824D+02  0.753349D+01 -0.885909D+01 -0.240527D+02
      4  -0.400206D+01  0.457748D+01 -0.247561D+01 -0.472043D+01 -0.106932D+02
      5  -0.231369D+01  0.972020D+01 -0.417439D+01  0.599898D+01 -0.101265D+02
      6   0.121402D+02 -0.650078D+01  0.641095D+01  0.147605D+02  0.315044D+01
                11            12            13            14            15 
      1   0.840525D+01 -0.187849D+01  0.144561D+02 -0.259368D+01  0.557526D+01
      2  -0.828743D+01  0.369782D+01 -0.133520D+02  0.691618D+01 -0.123550D+01
      3  -0.117821D+00 -0.181933D+01 -0.110410D+01 -0.432250D+01 -0.433976D+01
      4   0.256755D+01 -0.342200D+01  0.160132D+02 -0.692816D+01 -0.458522D+00
      5  -0.412908D+01  0.916878D+01  0.125647D+02  0.917009D-01 -0.350063D+01
      6   0.521830D+00 -0.704113D+01 -0.453972D+01  0.420001D+01  0.953982D+01
                16            17            18            19            20 
      1  -0.891117D+01  0.535200D+01 -0.198158D+02 -0.239233D+01  0.418618D+01
      2  -0.160741D+01  0.519655D+01  0.305190D+01 -0.227155D+01 -0.152029D+01
      3   0.105186D+02 -0.105485D+02  0.167639D+02  0.466388D+01 -0.266589D+01
      4   0.136617D+02  0.176377D+00 -0.436220D+01  0.364217D+01 -0.437163D+00
      5  -0.143829D+02 -0.371975D+01 -0.370998D+01 -0.186128D+02  0.308755D+01
      6  -0.579317D+01  0.176491D+01 -0.431196D+01  0.420094D+01  0.539920D+01
                21            22            23            24            25 
      1  -0.242246D+02 -0.905624D+01 -0.560070D+01 -0.498581D+01  0.220924D+02
      2   0.695260D+01 -0.176024D+01  0.642688D+01 -0.483058D+00  0.343071D+00
      3   0.172720D+02  0.108165D+02 -0.826185D+00  0.546887D+01 -0.224354D+02
      4   0.313992D+01  0.331058D+01 -0.598897D+00  0.311736D+01  0.464567D+01
      5  -0.771612D+00  0.184530D+01  0.943165D+00  0.678064D+01  0.134252D+02
      6   0.550064D+01  0.316409D+01  0.228068D+01  0.759905D+01  0.102126D+02
                26            27            28            29            30 
      1  -0.833987D+01  0.708687D+01  0.132102D+02 -0.753720D+00  0.130365D+01
      2   0.102989D+01 -0.263133D+01 -0.153731D+01  0.549712D+01  0.703413D+00
      3   0.730998D+01 -0.445554D+01 -0.116729D+02 -0.474340D+01 -0.200707D+01
      4   0.359603D+01  0.671201D+01  0.250039D+02  0.196313D+01 -0.173563D+01
      5   0.538369D+01 -0.587011D+01  0.412633D+01 -0.122901D+01  0.668331D+01
      6   0.225200D+01  0.107713D+02  0.275098D+01 -0.123631D+01  0.428718D+01
                31            32            33            34            35 
      1   0.160513D+00 -0.232582D+01  0.686851D+01 -0.758726D+01  0.917119D+01
      2   0.571656D+01  0.492113D+01 -0.189219D+01  0.110754D+01  0.363561D+01
      3  -0.587708D+01 -0.259531D+01 -0.497632D+01  0.647972D+01 -0.128068D+02
      4   0.128096D+02 -0.328056D-02  0.164185D+01  0.105926D+02  0.479763D+01
      5   0.110116D+02  0.896135D+00  0.104676D+01 -0.175041D+02  0.182659D+01
      6  -0.888359D+00  0.382642D+01  0.576427D+01 -0.143830D+01  0.942241D+00
                36            37            38            39            40 
      1  -0.182384D+02  0.756846D+01 -0.139851D+02  0.205166D+02  0.425847D+01
      2   0.312258D+01  0.108042D+01  0.134390D+02 -0.120736D+02  0.454508D+01
      3   0.151159D+02 -0.864888D+01  0.546144D+00 -0.844299D+01 -0.880355D+01
      4   0.770484D+00 -0.105743D+02 -0.784179D+00  0.336056D+01  0.151012D+02
      5  -0.126130D+01  0.118728D+02  0.214395D+01 -0.107457D+02 -0.277298D+01
      6  -0.822317D+01 -0.532849D+00 -0.549892D+01  0.606364D+01 -0.254210D+00
                41            42            43            44            45 
      1  -0.977827D+01 -0.727720D+01 -0.167677D+02 -0.477714D+01  0.836070D+01
      2   0.168709D+02 -0.100926D+02  0.806271D+00 -0.403302D+01 -0.897978D+00
      3  -0.709258D+01  0.173698D+02  0.159615D+02  0.881016D+01 -0.746272D+01
      4   0.622839D+01 -0.236459D+01 -0.423038D+01 -0.217129D+01 -0.625539D+01
      5  -0.117788D+01 -0.140857D+01  0.635949D+01 -0.521086D+01  0.881272D+01
      6  -0.625882D+01  0.461957D+01 -0.940870D+01  0.117890D+01  0.942358D+01
                46            47            48            49            50 
      1  -0.625575D+01  0.112229D+02 -0.227604D+02 -0.242309D+01 -0.140868D+02
      2   0.115578D+01 -0.902328D+01  0.697192D+01 -0.672213D+01  0.236109D+02
      3   0.509997D+01 -0.219960D+01  0.157885D+02  0.914522D+01 -0.952415D+01
      4   0.122873D+02 -0.539078D+00  0.522740D+01  0.853580D+01 -0.644102D+01
      5  -0.116881D+02  0.554444D+01 -0.105714D+01  0.927134D+01  0.206781D+01
      6   0.437190D+01  0.426948D+01 -0.459712D+01 -0.170181D+01 -0.534979D+01
                51            52            53            54            55 
      1   0.560651D+01  0.349599D+02 -0.322149D+01  0.110692D+02 -0.273861D+02
      2  -0.111645D+02 -0.103049D+02 -0.107711D+01 -0.669888D+01  0.125192D+02
      3   0.555799D+01 -0.246550D+02  0.429860D+01 -0.437036D+01  0.148668D+02
      4   0.101098D+01 -0.408181D+01  0.773707D+00  0.770794D+01 -0.768335D+01
      5   0.740605D+01  0.496634D+01  0.678871D+01 -0.496890D+01 -0.555684D+01
      6   0.368829D+01  0.114847D+02 -0.305886D+01  0.741836D+01  0.112475D+01
                56            57            58            59            60 
      1  -0.114055D+02 -0.639032D+01 -0.346528D+02 -0.262150D+02  0.124402D+01
      2   0.849618D+01  0.774062D+00  0.255609D+02  0.545217D+01  0.654783D+01
      3   0.290929D+01  0.561626D+01  0.909183D+01  0.207628D+02 -0.779184D+01
      4  -0.308854D+02  0.329988D+00 -0.487471D+02  0.140260D+02 -0.164389D+02
      5  -0.661432D-01 -0.130675D+02 -0.871806D+00 -0.157626D+02  0.135614D+02
      6   0.689699D+00  0.150836D+01  0.400359D+00  0.412411D+01 -0.509525D+01
                61            62            63            64            65 
      1  -0.159142D+02  0.127222D+01 -0.198868D+01 -0.925478D+02  0.323664D+02
      2  -0.186461D+01  0.804226D+01  0.730344D+01  0.503942D+02 -0.143985D+02
      3   0.177788D+02 -0.931448D+01 -0.531476D+01  0.421535D+02 -0.179680D+02
      4  -0.276469D+00 -0.210513D+02  0.266761D+02  0.315473D+02  0.267478D+02
      5  -0.244222D+02  0.231330D+02  0.387723D+02  0.275803D+02 -0.277483D+01
      6   0.112661D+02 -0.547509D+01 -0.124139D+02  0.871970D+00 -0.292301D+01
                66            67            68            69            70 
      1   0.269530D+02  0.648940D+02  0.265191D+02 -0.867671D+01  0.375981D+02
      2  -0.151038D+02 -0.302313D+02 -0.131662D+02  0.883054D+01 -0.154174D+02
      3  -0.118492D+02 -0.346627D+02 -0.133529D+02 -0.153828D+00 -0.221806D+02
      4  -0.139955D+01  0.317862D+02  0.854917D+01  0.254197D+02  0.200510D+01
      5   0.724127D+01 -0.273710D+01  0.267424D+02 -0.215649D+02 -0.182704D+01
      6   0.174170D+01  0.187590D+01  0.694086D+01 -0.482682D+01 -0.287690D+01
                71            72            73            74            75 
      1  -0.503903D+01  0.200576D+01  0.366278D+02 -0.251719D+02 -0.219453D+02
      2   0.862388D+01 -0.367699D+00 -0.188218D+02  0.610115D+01  0.119196D+02
      3  -0.358485D+01 -0.163806D+01 -0.178060D+02  0.190708D+02  0.100257D+02
      4   0.236196D+02 -0.173386D+02 -0.243046D+02 -0.338410D+02 -0.628964D+01
      5  -0.178983D+02 -0.359094D+02 -0.141127D+02 -0.873845D+01 -0.191665D+02
      6  -0.551180D+01 -0.533799D+01 -0.158582D+02 -0.985802D+01 -0.695896D+00
                76            77            78            79            80 
      1  -0.330851D+02 -0.294906D+02 -0.786484D+00 -0.249068D+02  0.147430D+01
      2   0.785991D+01  0.196152D+02 -0.121550D+02  0.122275D+02 -0.118912D+02
      3   0.252252D+02  0.987536D+01  0.129415D+02  0.126793D+02  0.104169D+02
      4  -0.437469D+02 -0.109385D+02 -0.391300D+02 -0.191435D+01 -0.278242D+02
      5  -0.899796D+01 -0.461340D+02  0.222974D+02 -0.110153D+02  0.200521D+02
      6  -0.155952D+02 -0.558997D+01 -0.113709D+02  0.206135D+01 -0.951918D+01
                81            82            83            84            85 
      1  -0.102962D+02  0.374268D+02 -0.231219D+02 -0.132007D+02 -0.310498D+02
      2  -0.493264D+00 -0.373926D+02 -0.173971D+00  0.660869D+01  0.137848D+01
      3   0.107895D+02 -0.342105D-01  0.232958D+02  0.659204D+01  0.296714D+02
      4   0.174312D+02 -0.200669D+02 -0.415790D+02 -0.844153D+00 -0.411287D+02
      5   0.156683D+02 -0.160402D+02  0.626394D+01 -0.458942D+01  0.405124D+01
      6   0.133152D+02  0.766718D+00  0.464374D+01 -0.290763D+01  0.286501D+01
                86            87            88            89            90 
      1  -0.281898D+02  0.910937D+01 -0.153574D+02  0.327783D+01  0.189674D+01
      2   0.492477D+00 -0.729186D+01  0.204934D+01 -0.832268D+01  0.238920D+02
      3   0.276973D+02 -0.181750D+01  0.133081D+02  0.504486D+01 -0.257887D+02
      4  -0.311475D+02 -0.164953D+02 -0.108604D+02 -0.239284D+02  0.102862D+02
      5  -0.144119D+02  0.215754D+02 -0.336712D+01  0.132841D+02  0.511069D+02
      6  -0.744789D+01  0.110525D+02 -0.148531D+01  0.101441D+02  0.121459D+02
                91            92            93            94            95 
      1   0.113419D+02 -0.616623D+01 -0.280010D+01 -0.145934D+02 -0.155137D+02
      2  -0.880738D+01 -0.107416D+01 -0.426374D+00  0.703663D+01  0.650153D+01
      3  -0.253452D+01  0.724038D+01  0.322648D+01  0.755675D+01  0.901218D+01
      4  -0.221935D+02 -0.162712D+02 -0.796179D+01 -0.372797D+02  0.162898D+02
      5  -0.902994D+01 -0.704705D+01 -0.957899D+01 -0.121263D+02 -0.243372D+01
      6  -0.466253D+01 -0.237984D+01 -0.423058D+01 -0.217644D+01 -0.532380D+01
                96            97            98            99           100 
      1  -0.619602D+01 -0.174603D+02 -0.849889D+01 -0.228962D+01 -0.345352D+01
      2  -0.538684D-01  0.104391D+01 -0.132454D+01  0.799892D+01  0.292644D-01
      3   0.624989D+01  0.164164D+02  0.982343D+01 -0.570930D+01  0.342426D+01
      4  -0.196642D+01 -0.184953D+02 -0.140523D+02 -0.159446D+02  0.114755D+02
      5  -0.135026D+02 -0.160649D+02 -0.147785D+02  0.306725D+02 -0.150760D+02
      6  -0.285472D+01 -0.785493D+01 -0.292203D+01  0.879356D+01  0.565043D+01
               101           102           103           104           105 
      1   0.516947D+01 -0.722567D+01  0.169761D+02  0.286250D+01  0.904128D+01
      2  -0.213811D+00  0.483753D+01 -0.120789D+02  0.182288D+01 -0.265541D+01
      3  -0.495566D+01  0.238813D+01 -0.489716D+01 -0.468539D+01 -0.638587D+01
      4  -0.898703D+00  0.725472D+01 -0.307900D+01 -0.149093D+02 -0.386699D+01
      5   0.647230D+01 -0.218412D+01  0.798942D+01 -0.369672D+01  0.208484D+02
      6  -0.564702D+01  0.576039D+01 -0.216192D+01 -0.371811D+00 -0.146486D+02
               106           107           108           109           110 
      1  -0.209687D+02  0.946070D+01 -0.447410D+01  0.408652D+02 -0.127192D+02
      2   0.813216D+01  0.185206D+01  0.155139D+01 -0.192363D+02  0.399311D+01
      3   0.128366D+02 -0.113128D+02  0.292272D+01 -0.216288D+02  0.872608D+01
      4   0.182955D+02 -0.136642D+02  0.198930D+02 -0.244686D+02  0.199644D+02
      5  -0.164482D+02  0.173498D+02 -0.231692D+02  0.295674D+02 -0.649509D+01
      6   0.106910D+02 -0.165325D+02  0.648194D+01 -0.114227D+02  0.405996D+01
               111           112           113           114           115 
      1   0.231192D+02 -0.143115D+02  0.326016D+01 -0.163367D+01  0.353368D+02
      2  -0.132836D+02  0.164237D+01  0.864879D+01 -0.184631D+01 -0.175504D+02
      3  -0.983562D+01  0.126691D+02 -0.119090D+02  0.347999D+01 -0.177865D+02
      4  -0.105687D+02  0.253772D+02 -0.229711D+02  0.182307D+02 -0.224227D+02
      5   0.215369D+02 -0.120005D+02  0.173821D+02 -0.189212D+02  0.330638D+02
      6  -0.776008D+01  0.629320D+01 -0.120150D+02  0.180693D+02 -0.113958D+02
               116           117           118           119           120 
      1  -0.264721D+01  0.101826D+02 -0.916234D+00 -0.929042D+01 -0.122454D+02
      2  -0.390046D+01 -0.131039D+02 -0.250473D+01  0.114330D+02  0.760287D+01
      3   0.654767D+01  0.292132D+01  0.342097D+01 -0.214253D+01  0.464253D+01
      4   0.288907D+02 -0.187471D+02  0.114865D+01 -0.528440D+01  0.367554D+01
      5  -0.168774D+02  0.555501D+02 -0.790533D+01 -0.852326D+00  0.582169D+01
      6   0.160624D+02 -0.279282D+02  0.388235D+01  0.521209D+01  0.125883D+01
               121           122           123           124           125 
      1  -0.306299D+01 -0.456845D+01 -0.522004D+01 -0.103023D+02 -0.878241D+01
      2   0.111159D+02 -0.148104D+02  0.234365D+01  0.559009D+01  0.794819D+01
      3  -0.805295D+01  0.193789D+02  0.287639D+01  0.471224D+01  0.834219D+00
      4  -0.734296D+01  0.364393D+02 -0.337446D+01  0.115229D+02 -0.169528D+02
      5   0.160810D+01 -0.258456D+01 -0.375276D+01  0.148836D+02 -0.160607D+02
      6   0.295590D+01  0.155318D+01  0.101391D+02 -0.541580D+01  0.197661D+02
               126           127           128           129           130 
      1  -0.106121D+02  0.267063D+00  0.814904D+00  0.257610D+01 -0.211174D+01
      2  -0.585733D+01 -0.548794D+01 -0.155202D+01  0.548997D+01 -0.759065D+00
      3   0.164694D+02  0.522088D+01  0.737114D+00 -0.806607D+01  0.287081D+01
      4  -0.143184D+02  0.190509D+01  0.273006D+01 -0.768570D+00  0.183051D+01
      5  -0.312592D+02 -0.934121D+01 -0.255693D+01  0.113254D+02 -0.261772D+01
      6   0.226951D+02  0.311539D+00 -0.171547D+01 -0.126275D+01 -0.144422D+01
               131           132           133           134           135 
      1  -0.302693D+01  0.711539D+01  0.371500D+01  0.401302D+01 -0.228127D+02
      2  -0.854743D+00  0.319038D+01  0.712336D+01  0.231545D+01 -0.159791D+02
      3   0.388168D+01 -0.103058D+02 -0.108384D+02 -0.632847D+01  0.387918D+02
      4   0.125974D+01 -0.177782D+01 -0.221803D+01 -0.356124D+01  0.238437D+01
      5  -0.294394D+01  0.370580D+01  0.123844D+02  0.420234D+01 -0.199493D+02
      6  -0.280443D+01  0.201581D+01  0.520644D+00  0.522436D+01 -0.115916D+01
               136           137           138           139           140 
      1   0.362434D+01 -0.178628D+00 -0.155068D+01  0.108598D+00 -0.192842D+01
      2  -0.587776D+01  0.941205D+00 -0.423698D+01  0.215022D+01 -0.337380D+00
      3   0.225342D+01 -0.762577D+00  0.578767D+01 -0.225882D+01  0.226580D+01
      4  -0.293204D+01  0.382234D+01 -0.105375D+01  0.242561D+01 -0.316476D+01
      5   0.115249D+02 -0.318459D+01  0.971236D+01 -0.472305D+01  0.353737D+01
      6  -0.722677D+00  0.187456D+01 -0.947026D+00  0.886471D+00 -0.303913D+01
               141           142           143           144           145 
      1   0.492184D+01 -0.385125D+01  0.451055D+01 -0.122723D+02 -0.292008D+01
      2   0.250014D+01 -0.543036D+01  0.118652D+01 -0.842490D+01 -0.264809D+01
      3  -0.742198D+01  0.928161D+01 -0.569707D+01  0.206972D+02  0.556817D+01
      4   0.137310D+01 -0.121901D+01  0.265223D+01 -0.224246D+01  0.524391D+01
      5  -0.582588D+01  0.119617D+02 -0.433362D+01  0.149680D+02 -0.876758D+01
      6   0.224710D+01 -0.186298D+01  0.480116D+01 -0.358907D+01 -0.596793D+01
               146           147           148           149           150 
      1  -0.182267D+01  0.563400D+01 -0.264679D+01 -0.512116D+01  0.915734D+01
      2   0.436538D+00  0.283226D+01 -0.410432D+00  0.106260D+01  0.154958D+00
      3   0.138613D+01 -0.846627D+01  0.305722D+01  0.405856D+01 -0.931229D+01
      4   0.373783D+01 -0.547025D+01  0.219190D+01  0.197623D+01 -0.295753D+01
      5  -0.337983D+01  0.114150D+02 -0.307744D+01 -0.264203D+01  0.375929D+01
      6  -0.360595D+01  0.626533D+01 -0.307414D+01 -0.574747D+01  0.957532D+01
               151           152           153           154           155 
      1   0.770436D+01  0.110277D+02 -0.295742D+02  0.357440D+01  0.278759D+01
      2   0.188995D+01 -0.314460D+01 -0.546908D+01 -0.250348D+01 -0.339003D+01
      3  -0.959432D+01 -0.788307D+01  0.350433D+02 -0.107092D+01  0.602443D+00
      4  -0.598348D+01 -0.510225D+01  0.805987D+01 -0.103806D+02  0.823444D+01
      5   0.105635D+02  0.502194D+01 -0.166489D+02  0.159756D+02 -0.547884D+01
      6   0.877110D+01  0.131382D+02 -0.243712D+02 -0.846234D+01  0.620919D+01
               156           157           158           159           160 
      1  -0.998815D+00  0.688852D+00 -0.388532D+01  0.531375D+01 -0.401881D+01
      2  -0.150617D+01 -0.482048D-02  0.241170D+01 -0.750264D+00 -0.140191D+01
      3   0.250499D+01 -0.684032D+00  0.147362D+01 -0.456348D+01  0.542072D+01
      4  -0.799903D+01  0.628455D+01 -0.643540D+01  0.647085D+01 -0.867568D+01
      5   0.135852D+02 -0.728423D+01  0.575198D+01 -0.871505D+01  0.150698D+02
      6  -0.838159D+01  0.611801D+01 -0.703605D+01  0.922783D+01 -0.105441D+02
               161           162           163           164           165 
      1   0.817210D+01 -0.136153D+02  0.801980D+01 -0.235270D+01 -0.844570D+01
      2  -0.466729D+01 -0.126609D+01 -0.738898D+01  0.670790D+00  0.630334D+01
      3  -0.350481D+01  0.148814D+02 -0.630816D+00  0.168191D+01  0.214236D+01
      4   0.787702D+01 -0.107002D+02 -0.583580D+01  0.993185D+01  0.690881D+01
      5  -0.783414D+01  0.197412D+02 -0.153984D+02  0.509470D+01  0.162304D+02
      6   0.121855D+02 -0.184775D+02  0.467579D+01 -0.191317D+01 -0.323449D+01
               166           167           168           169           170 
      1   0.446937D+01  0.107275D+01 -0.269541D+01 -0.143416D+02 -0.467245D+01
      2  -0.336299D+01  0.496299D+00  0.113423D+01  0.132526D+02  0.481828D+00
      3  -0.110638D+01 -0.156905D+01  0.156118D+01  0.108896D+01  0.419062D+01
      4   0.118229D+02 -0.989188D+01 -0.911052D+01  0.120914D+02 -0.140299D+02
      5   0.482277D+01 -0.912289D+01 -0.929947D+01  0.277852D+02 -0.187851D+02
      6  -0.333187D+01  0.656727D+01  0.969919D+01 -0.941365D+01  0.121983D+02
               171           172           173           174           175 
      1  -0.499247D+01  0.194829D+02 -0.103799D+02  0.626206D+01 -0.107964D+02
      2  -0.120624D+02 -0.329462D+01 -0.543163D+00 -0.165437D+01 -0.437415D+01
      3   0.170549D+02 -0.161883D+02  0.109231D+02 -0.460768D+01  0.151706D+02
      4  -0.221510D+02 -0.229067D+02  0.261864D+02 -0.571844D+01  0.334540D+02
      5  -0.511201D+02  0.846127D+01 -0.353623D+01  0.706385D+01 -0.465281D+01
      6   0.202855D+02 -0.278017D+01  0.148573D+00 -0.164616D+01  0.163748D+01
               176           177           178           179           180 
      1   0.377750D+01 -0.508609D+00  0.170260D+02 -0.498984D+00  0.236162D+01
      2   0.189626D+02 -0.435558D+01 -0.421411D+01 -0.695719D+01  0.419773D+00
      3  -0.227401D+02  0.486419D+01 -0.128119D+02  0.745617D+01 -0.278139D+01
      4  -0.481416D+02  0.117761D+02 -0.141806D+02  0.223774D+02 -0.140680D+02
      5   0.103931D+02 -0.843854D+01  0.100165D+02 -0.122584D+02  0.683592D+01
      6  -0.370939D+01  0.523379D+01 -0.410225D+01  0.604388D+01 -0.365902D+01
               181           182           183           184           185 
      1   0.145405D+03 -0.184091D+02 -0.187560D+02 -0.271794D+02  0.144365D+02
      2  -0.741511D+02  0.955385D+01  0.938968D+01  0.134508D+02 -0.537605D+01
      3  -0.712539D+02  0.885530D+01  0.936633D+01  0.137286D+02 -0.906048D+01
      4  -0.149457D+02  0.133221D+02  0.196066D+01  0.180531D+02 -0.891533D+01
      5  -0.224496D+02  0.272460D+01  0.167734D+02  0.326074D+01 -0.675437D+01
      6   0.103786D+01 -0.127942D+01  0.116482D+01 -0.154068D+01  0.993154D-01
               186           187           188           189           190 
      1   0.369713D+01 -0.214469D+02  0.281513D+01  0.174382D+02  0.358007D+02
      2  -0.241199D+01  0.122829D+02 -0.236627D+01 -0.107612D+02 -0.160068D+02
      3  -0.128514D+01  0.916405D+01 -0.448862D+00 -0.667706D+01 -0.197939D+02
      4  -0.624026D+01  0.121378D+01 -0.575930D+01 -0.630583D+00  0.344299D+02
      5  -0.117682D+01  0.241416D+02 -0.973309D+00 -0.555100D+01  0.283487D+02
      6   0.245553D+01 -0.492042D-01  0.265092D+01  0.855636D+00  0.127304D+02
               191           192           193           194           195 
      1   0.220813D+02  0.145066D+02  0.262187D+02  0.164406D+02  0.640930D+01
      2  -0.641093D+01 -0.100850D+02 -0.740198D+01  0.142341D+01 -0.338888D+01
      3  -0.156704D+02 -0.442154D+01 -0.188168D+02 -0.178640D+02 -0.302042D+01
      4   0.316814D+02  0.139011D+02  0.400551D+02  0.474053D+02  0.237954D+02
      5   0.173000D+02  0.226059D+02  0.243674D+02  0.277680D+02  0.211874D+02
      6   0.114955D+02  0.806620D+01  0.152212D+02  0.202985D+02  0.147432D+02
               196           197           198           199           200 
      1   0.863980D+01  0.230983D+01  0.748756D+01  0.112377D+02 -0.718955D+01
      2  -0.707347D+01 -0.215220D+01 -0.629375D+01 -0.946204D+01  0.611629D+01
      3  -0.156633D+01 -0.157634D+00 -0.119380D+01 -0.177565D+01  0.107326D+01
      4   0.103491D+02  0.129000D+02  0.123600D+02 -0.795548D+01  0.132420D+02
      5   0.192775D+02  0.129355D+02  0.155669D+02  0.177519D+02 -0.837882D+01
      6   0.750530D+01  0.105654D+02  0.803185D+01 -0.181783D+01  0.448854D+01
               201           202           203           204           205 
      1   0.127954D+02 -0.120186D+02  0.742682D+01 -0.411158D+01  0.108907D+02
      2  -0.110773D+02  0.107288D+02 -0.916383D+01  0.141825D+02 -0.114912D+02
      3  -0.171814D+01  0.128987D+01  0.173701D+01 -0.100709D+02  0.600556D+00
      4  -0.606289D+01  0.147144D+02 -0.293754D+02  0.227813D+02 -0.621952D+01
      5   0.184722D+02 -0.158478D+02  0.258650D+02 -0.319948D+02  0.195585D+02
      6  -0.199464D+01  0.546398D+01 -0.132325D+02  0.101187D+02 -0.263909D+01
               206           207           208           209           210 
      1  -0.159235D+01  0.279920D+01 -0.471801D+02  0.990146D+01  0.139184D+02
      2   0.988536D+01 -0.183037D+02  0.229972D+02 -0.568407D+01 -0.205726D+01
      3  -0.829301D+01  0.155046D+02  0.241829D+02 -0.421739D+01 -0.118612D+02
      4   0.168886D+02 -0.182071D+02 -0.359675D+01 -0.243952D+01 -0.113915D+01
      5  -0.198800D+02  0.353478D+02 -0.102960D+02 -0.108025D+01 -0.736973D+01
      6   0.996435D+01 -0.834207D+01  0.615548D+01 -0.496263D+01 -0.628802D+01
               211           212           213           214           215 
      1   0.874853D+01 -0.790434D+01 -0.632358D+01  0.106948D+02 -0.391256D+01
      2  -0.396365D+01  0.468167D+01  0.392030D+01 -0.216181D+01  0.209978D+01
      3  -0.478488D+01  0.322266D+01  0.240328D+01 -0.853295D+01  0.181279D+01
      4   0.199459D+01  0.332596D+01  0.584289D+01  0.182102D+00  0.390362D+01
      5   0.352238D-01  0.493409D+01 -0.799906D-02  0.133794D+01 -0.137035D+01
      6  -0.224217D+01  0.411007D+01  0.534115D+01 -0.374249D+01  0.431674D+01
               216           217           218           219           220 
      1  -0.104983D+02 -0.439912D+02  0.142304D+02  0.214769D+01  0.960295D+01
      2   0.113441D+01  0.296398D+02 -0.139039D+02 -0.224322D+01 -0.832559D+01
      3   0.936393D+01  0.143513D+02 -0.326449D+00  0.955343D-01 -0.127736D+01
      4  -0.138785D+01 -0.129295D+02 -0.336069D+01  0.343580D+01  0.253567D+01
      5   0.331623D+01  0.125176D+02  0.309332D+00 -0.612330D+01 -0.148264D+01
      6   0.242710D+01  0.509042D+00  0.306481D+01 -0.489003D+01  0.146421D+01
               221           222           223           224           225 
      1  -0.112626D+02  0.102633D-01  0.625851D+01 -0.314741D+01 -0.645633D+01
      2   0.130810D+02  0.684381D+00 -0.394424D+01  0.427374D+01  0.794349D+00
      3  -0.181839D+01 -0.694644D+00 -0.231428D+01 -0.112633D+01  0.566198D+01
      4   0.461824D+01  0.968224D+00  0.165804D+01  0.404612D+01 -0.139068D+01
      5   0.309682D+01 -0.351048D+00 -0.230274D+01  0.243947D+00 -0.314518D+01
      6  -0.106789D+01  0.979635D+00 -0.278273D+01  0.128201D+01 -0.636033D+00
               226           227           228           229           230 
      1   0.456284D+00  0.228260D+01 -0.879366D+01 -0.928129D+00  0.640036D+00
      2  -0.247668D+01  0.363211D+00  0.691177D+01  0.241255D+01 -0.173650D+01
      3   0.202039D+01 -0.264581D+01  0.188189D+01 -0.148442D+01  0.109646D+01
      4   0.301083D+01  0.665900D+01 -0.282396D+01  0.480579D+01  0.437513D+00
      5  -0.105321D+02 -0.124189D+01  0.136591D+02  0.914046D+00 -0.589326D+01
      6  -0.274365D+01 -0.126173D+01  0.175939D+01 -0.898895D+00 -0.225301D+00
               231           232           233           234           235 
      1   0.226030D+00 -0.851296D+01  0.215960D+01 -0.133045D+02  0.280208D+02
      2  -0.469273D+01  0.856356D+01 -0.373231D+01 -0.256269D+02 -0.600899D+00
      3   0.446670D+01 -0.505993D-01  0.157271D+01  0.389314D+02 -0.274199D+02
      4  -0.491733D+01 -0.516848D+01 -0.868062D+01  0.417807D+01  0.415017D+02
      5  -0.934864D+01  0.171430D+02  0.360622D+01 -0.698083D+02 -0.370231D+01
      6   0.366488D+01  0.442955D+01  0.786524D+01 -0.252467D+02 -0.307622D+01
               236           237           238           239           240 
      1   0.210085D+02  0.217657D+01  0.191208D+02  0.110491D+02 -0.407329D+00
      2   0.512482D+01  0.703902D-01  0.784652D+01  0.270235D+02  0.122656D+01
      3  -0.261333D+02 -0.224696D+01 -0.269673D+02 -0.380726D+02 -0.819230D+00
      4   0.448103D+02 -0.107256D+01  0.469208D+02  0.680590D+02 -0.695830D+00
      5  -0.538323D+01  0.939840D+01 -0.537701D+01 -0.428058D+01  0.678932D+01
      6  -0.474473D+01  0.538597D+01 -0.473383D+01 -0.789976D+01  0.617666D+01
               241           242           243           244           245 
      1   0.720716D+01  0.195692D+01  0.369154D+01  0.934756D+00  0.329375D+01
      2   0.228994D+00  0.520990D+01 -0.129451D+01 -0.435430D+01 -0.149312D+01
      3  -0.743615D+01 -0.716682D+01 -0.239703D+01  0.341954D+01 -0.180062D+01
      4   0.846988D+01  0.134902D+02  0.807663D+01  0.594271D+01  0.545740D+01
      5   0.774658D+01  0.649822D+01 -0.195835D+01 -0.121507D+02 -0.150640D+01
      6   0.441701D+01  0.488648D+01  0.166601D+00 -0.360870D+01 -0.520351D+00
               246           247           248           249           250 
      1  -0.676843D+01  0.419963D+01  0.130809D+00  0.194178D+01 -0.806448D+01
      2   0.526569D+01 -0.178093D+01 -0.136829D+00 -0.378614D+00  0.852466D+01
      3   0.150274D+01 -0.241870D+01  0.602089D-02 -0.156317D+01 -0.460179D+00
      4  -0.263425D+01  0.924188D+01  0.440717D+01 -0.720889D+01 -0.418950D+01
      5   0.124474D+02 -0.215012D+01 -0.725029D+01  0.891847D+01  0.171976D+02
      6   0.212538D+01 -0.173544D+01 -0.387313D+01  0.696649D+01  0.318197D+01
               251           252           253           254           255 
      1   0.219568D+01 -0.584011D+01 -0.863204D+02 -0.856128D+01  0.106848D+02
      2   0.657096D+00 -0.133185D+02  0.443032D+02  0.138821D+02 -0.643140D+01
      3  -0.285278D+01  0.191586D+02  0.420172D+02 -0.532082D+01 -0.425336D+01
      4  -0.987222D+01  0.902663D+01 -0.148193D+02  0.254372D+02  0.941715D+01
      5   0.755765D+01 -0.414364D+02  0.131868D+02  0.574839D+01  0.102824D+02
      6   0.619342D+01 -0.116757D+02  0.950524D+01  0.417528D+01  0.408517D+01
               256           257           258           259           260 
      1   0.142455D+02  0.366804D+02  0.321307D+00  0.287034D+02  0.149065D+01
      2   0.123309D+00 -0.380447D+02 -0.230886D-01 -0.106309D+02  0.375055D+01
      3  -0.143688D+02  0.136427D+01 -0.298218D+00 -0.180726D+02 -0.524120D+01
      4   0.338642D+02 -0.185170D+02  0.110573D+02  0.208137D+02  0.188141D+02
      5   0.106544D+02  0.141280D+02  0.129427D+02  0.157017D+02  0.117974D+02
      6   0.668398D+01  0.383937D+01  0.671190D+01  0.774045D+01  0.717619D+01
               261           262           263           264           265 
      1   0.132543D+02  0.320489D+01 -0.576104D+01 -0.118692D+01 -0.323770D+01
      2   0.621604D+01  0.342818D+01 -0.302803D+01 -0.369816D+00 -0.753185D+01
      3  -0.194704D+02 -0.663307D+01  0.878908D+01  0.155674D+01  0.107695D+02
      4   0.153172D+02 -0.116095D+02  0.178106D+02  0.354244D+01  0.218670D+02
      5  -0.276517D+02 -0.408012D+01  0.480820D+01  0.310452D+01  0.553876D+01
      6  -0.850167D+01  0.310284D+01 -0.374152D+01 -0.135849D+01 -0.495506D+01
               266           267           268           269           270 
      1  -0.134145D+02 -0.370871D+01  0.528751D+00  0.326564D+00 -0.156496D+01
      2   0.389550D+02  0.537223D+01  0.213645D+01 -0.700131D+01  0.178507D+01
      3  -0.255405D+02 -0.166352D+01 -0.266520D+01  0.667475D+01 -0.220109D+00
      4  -0.575517D+02 -0.109738D+02 -0.350855D+01  0.897233D+01 -0.312570D+01
      5  -0.129910D+02 -0.980304D+01  0.174380D+01 -0.288534D+01 -0.220115D+01
      6   0.169637D+02  0.821807D+01 -0.988902D+00  0.356859D+01  0.171315D+01
               271           272           273           274           275 
      1   0.131630D+03  0.116683D+02 -0.548262D+01 -0.474073D+01  0.750873D+01
      2  -0.622037D+02 -0.191984D+01  0.230386D+01  0.553538D+01 -0.414465D+00
      3  -0.694262D+02 -0.974842D+01  0.317876D+01 -0.794651D+00 -0.709426D+01
      4   0.461979D+02  0.188039D+02 -0.522472D+00  0.131285D+02  0.594607D+01
      5   0.265073D+01  0.102545D+01  0.129141D+02 -0.787564D+00 -0.195953D+01
      6  -0.158446D+01  0.118084D+01  0.388931D+01  0.153302D+00 -0.251533D+00
               276           277           278           279           280 
      1   0.360623D+00 -0.179503D+02 -0.156854D+01  0.102392D+02  0.822623D+00
      2  -0.413683D+00  0.766924D+01 -0.655335D+00 -0.727017D+01  0.325711D+01
      3   0.530598D-01  0.102811D+02  0.222387D+01 -0.296902D+01 -0.407973D+01
      4  -0.218719D+01 -0.809017D+01 -0.556087D+01  0.245486D+01  0.420502D+01
      5  -0.159738D+01  0.143371D+02  0.303760D+00 -0.803075D+00 -0.263969D+01
      6   0.260601D-01  0.389547D+01  0.725193D+00 -0.353049D+00 -0.992345D+00
               281           282           283           284           285 
      1   0.139364D+02 -0.161593D+01  0.104917D+02 -0.327981D+02 -0.216000D+00
      2  -0.144207D+02  0.114484D+01 -0.434367D+01  0.545983D+02 -0.727827D+00
      3   0.484283D+00  0.471083D+00 -0.614808D+01 -0.218002D+02  0.943826D+00
      4  -0.665414D+01 -0.190852D+01  0.945912D+01  0.538816D+02 -0.248292D+00
      5  -0.932536D-02 -0.254795D+01  0.134725D+01 -0.284159D+01  0.592517D+01
      6  -0.133850D+01 -0.231353D+01 -0.565132D-01  0.464266D+01  0.660532D+01
               286           287           288           289           290 
      1  -0.560678D+01  0.172345D+01 -0.595731D+01  0.725442D+01  0.758336D+00
      2   0.208208D+01 -0.517812D+01  0.481328D+01 -0.674888D+01 -0.179314D+01
      3   0.352470D+01  0.345466D+01  0.114403D+01 -0.505530D+00  0.103481D+01
      4  -0.413517D+01 -0.815745D+01  0.410447D+01  0.746540D-01 -0.302244D+01
      5   0.100565D+00  0.536389D+01  0.677859D+00  0.429830D+01 -0.107871D+01
      6  -0.525098D+00  0.693089D+01 -0.273629D+00  0.448665D+00 -0.126097D+01
               291           292           293           294           295 
      1   0.582498D+01 -0.557676D+01 -0.638245D+01 -0.647885D+00  0.106405D+02
      2  -0.247785D+01  0.213004D+01  0.361122D+01  0.304854D+01 -0.672634D+01
      3  -0.334713D+01  0.344673D+01  0.277123D+01 -0.240065D+01 -0.391416D+01
      4   0.437284D+00 -0.354836D+01 -0.290625D+01  0.274445D+01  0.579055D+01
      5   0.129404D+01 -0.227822D+01  0.252369D+01 -0.522115D+01  0.105665D+02
      6  -0.802491D+00 -0.723538D+00  0.154081D+00  0.164883D+01  0.211677D+01
               296           297 
      1  -0.105002D+01 -0.114473D+02
      2   0.328976D+01 -0.139394D+02
      3  -0.223974D+01  0.253867D+02
      4   0.906825D+01  0.151288D+00
      5   0.116495D+01  0.452014D+02
      6   0.458100D+01  0.173379D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.690903D+00      0.175610D+01      0.585772D+01
   x          0.471325D+00      0.119799D+01      0.399606D+01
   y         -0.177071D+00     -0.450069D+00     -0.150127D+01
   z          0.473124D+00      0.120256D+01      0.401131D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158259D+03      0.234516D+02      0.260934D+02
   aniso      0.638714D+02      0.946477D+01      0.105310D+02
   xx         0.199037D+03      0.294943D+02      0.328168D+02
   yx        -0.554041D+00     -0.821005D-01     -0.913491D-01
   yy         0.130507D+03      0.193392D+02      0.215177D+02
   zx         0.166351D+01      0.246507D+00      0.274276D+00
   zy        -0.744604D+01     -0.110339D+01     -0.122769D+01
   zz         0.145234D+03      0.215214D+02      0.239458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.168996D+03      0.250427D+02      0.278637D+02
   aniso      0.669891D+02      0.992677D+01      0.110450D+02
   xx         0.211718D+03      0.313733D+02      0.349075D+02
   yx        -0.526203D+00     -0.779752D-01     -0.867592D-01
   yy         0.139800D+03      0.207162D+02      0.230499D+02
   zx         0.181552D+01      0.269032D+00      0.299339D+00
   zy        -0.787677D+01     -0.116722D+01     -0.129870D+01
   zz         0.155471D+03      0.230385D+02      0.256338D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.57539356         -1.13510741         -0.52031291
     6          2.34280323         -1.35288217          2.09805333
     6          0.46762951         -1.09563667         -2.07820159
     6         -1.95548370         -1.27828699         -1.06060019
     6         -2.20255524         -1.50369757          1.54702002
     6         -0.08618841         -1.55023781          3.09842196
     6          4.63374799         -1.32775249          3.78610954
     6          5.47042762          1.32136745          4.70012994
     6          3.46172337          2.60223762          6.33203510
     6          6.26842276          3.03366791          2.51617427
     6         -4.27369158         -1.28965107         -2.75652900
     6         -4.29924668          1.12351271         -4.30287860
     8         -3.45515123          1.36749758         -6.40114854
     8         -5.35424189          3.06278025         -3.01473519
     1          4.43962886         -0.99837495         -1.35378487
     1          0.70611260         -0.90927761         -4.10169322
     1         -4.06913867         -1.65264702          2.37467544
     1         -0.32824966         -1.74485431          5.12138427
     1          6.22018682         -2.19654782          2.78875823
     1          4.26378091         -2.49616621          5.44873262
     1          7.13508521          0.99955440          5.88816628
     1          4.16801212          4.38863957          7.08468419
     1          2.91589097          1.41412909          7.92940852
     1          1.76213425          3.01039287          5.23640812
     1          4.67174946          3.45745334          1.28068281
     1          7.74237172          2.15642394          1.36787527
     1          7.00374661          4.82470624          3.22892772
     1         -5.93714869         -1.24710584         -1.54015755
     6         -4.37270206         -3.61550697         -4.47052394
     1         -5.21318096          4.55038174         -4.07712860
     1         -6.09134851         -3.62048436         -5.60879636
     1         -4.33272892         -5.32525177         -3.32273727
     1         -2.76346359         -3.64533376         -5.75173339

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.690903D+00      0.175610D+01      0.585772D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.690903D+00      0.175610D+01      0.585772D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158259D+03      0.234516D+02      0.260934D+02
   aniso      0.638714D+02      0.946477D+01      0.105310D+02
   xx         0.172588D+03      0.255750D+02      0.284560D+02
   yx         0.705549D+01      0.104552D+01      0.116329D+01
   yy         0.128523D+03      0.190451D+02      0.211905D+02
   zx         0.252401D+02      0.374019D+01      0.416153D+01
   zy         0.308542D+01      0.457212D+00      0.508717D+00
   zz         0.173667D+03      0.257348D+02      0.286338D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.168996D+03      0.250427D+02      0.278637D+02
   aniso      0.669891D+02      0.992677D+01      0.110450D+02
   xx         0.184011D+03      0.272676D+02      0.303393D+02
   yx         0.745274D+01      0.110438D+01      0.122879D+01
   yy         0.137715D+03      0.204073D+02      0.227062D+02
   zx         0.263668D+02      0.390716D+01      0.434730D+01
   zy         0.329086D+01      0.487655D+00      0.542589D+00
   zz         0.185263D+03      0.274531D+02      0.305457D+02

 ----------------------------------------------------------------------
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 SOME PEOPLE TRY TO PULL THE WOOL OVER YOUR EYES
 USING THE WRONG YARN.
 Job cpu time:       1 days 22 hours 24 minutes  7.8 seconds.
 Elapsed time:       0 days  5 hours 48 minutes 30.8 seconds.
 File lengths (MBytes):  RWF=    939 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 18:18:12 2021.
